methyl 2-[[3-azanyl-4-(cyclohexylcarbamoyl)-5-phenylazanyl-thiophen-2-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-azanyl-4-(cyclohexylcarbamoyl)-5-phenylazanyl-thiophen-2-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-amino-5-anilino-4-(cyclohexylcarbamoyl)thiophene-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-amino-5-anilino-4-[(cyclohexylamino)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-amino-5-anilino-4-(cyclohexylcarbamoyl)thiophene-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-amino-5-anilino-4-(cyclohexylcarbamoyl)thiophene-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C(=C(S3)NC4=CC=CC=C4)C(=O)NC5CCCCC5)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C(=C(S3)NC4=CC=CC=C4)C(=O)NC5CCCCC5)N

InChI

InChI=1S/C27H30N4O4S2/c1-35-27(34)19-17-13-8-14-18(17)36-25(19)31-24(33)22-21(28)20(23(32)29-15-9-4-2-5-10-15)26(37-22)30-16-11-6-3-7-12-16/h3,6-7,11-12,15,30H,2,4-5,8-10,13-14,28H2,1H3,(H,29,32)(H,31,33)