ethyl 2-(cyclohexylcarbonylamino)-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbonylamino)-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 5-(benzylcarbamoyl)-2-(cyclohexanecarbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoyl)-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-(cyclohexanecarbonylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H28N2O4S/c1-3-29-23(28)18-15(2)19(21(27)24-14-16-10-6-4-7-11-16)30-22(18)25-20(26)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-14H2,1-2H3,(H,24,27)(H,25,26)