[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H14N2O3S3 MolecularWeight: 390.49966

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H14N2O3S3/c18-9-13-5-6-23-15(13)19-14(20)10-22-16(21)11-1-3-12(4-2-11)17-24-7-8-25-17/h1-6,17H,7-8,10H2,(H,19,20)