7-[[(2E)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-hydroxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-hydroxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-3-[[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-hydroximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-3-[[(5-keto-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C38H30N8O6S4 MolecularWeight: 822.9548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)SCC3=C(N4C(C(C4=O)NC(=O)C(=NO)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC3)C(=O)O

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/O)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC3)C(=O)O

InChI

InChI=1S/C38H30N8O6S4/c1-21-17-27(47)46-36(39-21)56-37(43-46)55-19-22-18-53-33-29(32(49)45(33)30(22)34(50)51)41-31(48)28(44-52)26-20-54-35(40-26)42-38(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-17,20,29,33,52H,18-19H2,1H3,(H,40,42)(H,41,48)(H,50,51)/b44-28+