ethyl 2-[[N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(4-methylphenyl)sulfonylimino-phenylmethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-[(C-phenyl-N-tosyl-carbonimidoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O4S2 MolecularWeight: 504.62046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=NS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=NS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4S2/c1-3-33-27(30)24-23(20-10-6-4-7-11-20)18-34-26(24)28-25(21-12-8-5-9-13-21)29-35(31,32)22-16-14-19(2)15-17-22/h4-18H,3H2,1-2H3,(H,28,29)