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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C17H20N2O3S2/c18-11-13-5-1-3-7-15(13)19-16(20)12-22-17(21)8-4-2-6-14-9-10-23-24-14/h1,3,5,7,14H,2,4,6,8-10,12H2,(H,19,20)/t14-/m0/s1