3-[(5-tert-butyl-1,2,3-thiadiazol-4-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(5-tert-butyl-1,2,3-thiadiazol-4-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(5-tert-butylthiadiazol-4-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(5-tert-butyl-4-thiadiazolyl)thio]methyl]-7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(5-tert-butylthiadiazol-4-yl)sulfanylmethyl]-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(5-tert-butylthiadiazol-4-yl)thio]methyl]-8-keto-7-[[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C39H37N7O5S4 MolecularWeight: 812.01498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NS1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NS1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)O

InChI

InChI=1S/C39H37N7O5S4/c1-38(2,3)31-33(43-45-55-31)52-20-23-21-53-35-29(34(48)46(35)30(23)36(49)50)41-32(47)28(44-51-4)27-22-54-37(40-27)42-39(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22,29,35H,20-21H2,1-4H3,(H,40,42)(H,41,47)(H,49,50)/b44-28+