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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H18N2O3S3 MolecularWeight: 370.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H18N2O3S3/c16-9-11-5-7-21-15(11)17-13(18)10-20-14(19)4-2-1-3-12-6-8-22-23-12/h5,7,12H,1-4,6,8,10H2,(H,17,18)/t12-/m0/s1