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

Systemtic Name: methyl 2-(cyclohexylcarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[cyclohexyl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-13-16(21(26)27-2)20(23-18(24)14-9-5-3-6-10-14)28-17(13)19(25)22-15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H,22,25)(H,23,24)