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

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C18H16ClNO3S2 MolecularWeight: 393.90754

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO3S2/c19-14-2-1-3-15(10-14)20-16(21)11-23-17(22)12-4-6-13(7-5-12)18-24-8-9-25-18/h1-7,10,18H,8-9,11H2,(H,20,21)