[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H26N2O3S/c1-14-7-9-16(10-8-14)22-19(24)12-26-21(25)13-27-20-11-15(2)17-5-3-4-6-18(17)23-20/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,24)