methyl 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-(1,3-thiazol-4-ylcarbonylamino)phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-(1,3-thiazol-4-ylcarbonylamino)phenyl]thiophene-2-carboxylate Openeye Name: methyl 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-[[oxo(4-thiazolyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylic acid methyl ester Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=CSC=N4)C(=O)OC)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=CSC=N4)C(=O)OC)C(C)C

InChI

InChI=1S/C27H31N3O4S2/c1-16(2)30(26(32)19-7-5-17(3)6-8-19)22-13-23(36-24(22)27(33)34-4)18-9-11-20(12-10-18)29-25(31)21-14-35-15-28-21/h9-17,19H,5-8H2,1-4H3,(H,29,31)