[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20ClNO3S2 MolecularWeight: 421.9607

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClNO3S2/c21-17-5-2-1-4-16(17)12-22-18(23)13-25-19(24)14-6-8-15(9-7-14)20-26-10-3-11-27-20/h1-2,4-9,20H,3,10-13H2,(H,22,23)