3-[(5-ethyl-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-ethyl-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-ethylthiadiazol-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-ethyl-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-ethylthiadiazol-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-ethylthiadiazol-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: C37H33N7O5S4 MolecularWeight: 783.96182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C37H33N7O5S4/c1-3-27-32(41-43-53-27)50-19-22-20-51-34-29(33(46)44(34)30(22)35(47)48)39-31(45)28(42-49-2)26-21-52-36(38-26)40-37(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21,29,34H,3,19-20H2,1-2H3,(H,38,40)(H,39,45)(H,47,48)/b42-28+