methyl 4-(3-chlorophenyl)-2-(cyclohexylcarbonylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-2-(cyclohexylcarbonylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-2-(cyclohexanecarbonylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-2-[[cyclohexyl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-(cyclohexanecarbonylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2)C(=O)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2CCCCC2)C(=O)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-12-16(14-9-6-10-15(21)11-14)17(20(24)25-2)19(26-12)22-18(23)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,22,23)