methyl 4-[[5-ethyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[5-ethyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(benzylcarbamoyl)-5-ethyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-ethyl-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(benzylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[3-(benzylcarbamoyl)-5-ethyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC=CC=C3

InChI

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