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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H20N2O3S2/c18-11-13-4-3-5-14(10-13)19-16(20)12-22-17(21)7-2-1-6-15-8-9-23-24-15/h3-5,10,15H,1-2,6-9,12H2,(H,19,20)/t15-/m0/s1