dimethyl 2-[[3-azanyl-4-(cyclohexylcarbamoyl)-5-(4-methoxyphenyl)imino-2H-thiophen-2-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-azanyl-4-(cyclohexylcarbamoyl)-5-(4-methoxyphenyl)imino-2H-thiophen-2-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-amino-4-(cyclohexylcarbamoyl)-5-(4-methoxyphenyl)imino-2H-thiophene-2-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[3-amino-4-[(cyclohexylamino)-oxomethyl]-5-(4-methoxyphenyl)imino-2H-thiophen-2-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-amino-4-(cyclohexylcarbamoyl)-5-(4-methoxyphenyl)imino-2H-thiophene-2-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-amino-4-(cyclohexylcarbamoyl)-5-(4-methoxyphenyl)imino-2H-thiophene-2-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C29H32N4O7S MolecularWeight: 580.65198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)N)C(=O)NC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)N)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H32N4O7S/c1-38-19-12-10-18(11-13-19)32-27-22(25(34)31-17-7-5-4-6-8-17)23(30)24(41-27)26(35)33-21-15-16(28(36)39-2)9-14-20(21)29(37)40-3/h9-15,17,24H,4-8,30H2,1-3H3,(H,31,34)(H,33,35)