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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N2O3S2/c20-11-13-2-1-3-16(10-13)21-17(22)12-24-18(23)14-4-6-15(7-5-14)19-25-8-9-26-19/h1-7,10,19H,8-9,12H2,(H,21,22)