methyl 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(3-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(3-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(m-tolyl)thiophene-2-carboxylate CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(3-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(3-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(m-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C)C(=O)OC)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C)C(=O)OC)C(C)C

InChI

InChI=1S/C24H31NO3S/c1-15(2)25(23(26)18-11-9-16(3)10-12-18)20-14-21(29-22(20)24(27)28-5)19-8-6-7-17(4)13-19/h6-8,13-16,18H,9-12H2,1-5H3