S-[cyclohexyl(methyl)amino] 4-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]butanethioate

Systemtic Name: S-[cyclohexyl(methyl)amino] 4-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]butanethioate Openeye Name: S-[cyclohexyl(methyl)amino] 4-[(2-oxo-1H-quinolin-6-yl)oxy]butanethioate CAS Name: 4-[(2-oxo-1H-quinolin-6-yl)oxy]butanethioic acid S-[cyclohexyl(methyl)amino] ester IUPAC Name: S-[cyclohexyl(methyl)amino] 4-[(2-oxo-1H-quinolin-6-yl)oxy]butanethioate Traditional Name: 4-[(2-keto-1H-quinolin-6-yl)oxy]butanethioic acid S-[cyclohexyl(methyl)amino] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)SC(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3

Isomeric SMILES

CN(C1CCCCC1)SC(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C20H26N2O3S/c1-22(16-6-3-2-4-7-16)26-20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)