[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] 5-[(3R)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3R)-3-dithiolanyl]pentanoic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] 5-[(3R)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3R)-dithiolan-3-yl]valeric acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)CCCC[C@@H]2CCSS2

InChI

InChI=1S/C17H23NO4S2/c1-21-15-8-4-3-7-14(15)18-16(19)12-22-17(20)9-5-2-6-13-10-11-23-24-13/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,19)/t13-/m1/s1