ethyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-indolin-1-ylsulfonylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-indolin-1-ylsulfonylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C24H21N3O5S3 MolecularWeight: 527.63564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)SC#N)C

InChI

InChI=1S/C24H21N3O5S3/c1-3-32-24(29)21-15(2)20(33-14-25)23(34-21)26-22(28)17-8-10-18(11-9-17)35(30,31)27-13-12-16-6-4-5-7-19(16)27/h4-11H,3,12-13H2,1-2H3,(H,26,28)