[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C17H23NO4S2/c1-21-14-8-6-13(7-9-14)18-16(19)12-22-17(20)5-3-2-4-15-10-11-23-24-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,19)/t15-/m0/s1