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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-15-14-19(21(27)24-13-12-16-6-4-3-5-7-16)22(30-15)25-20(26)17-8-10-18(11-9-17)23(28)29-2/h3-7,14,17-18H,8-13H2,1-2H3,(H,24,27)(H,25,26)