[1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO4S2 MolecularWeight: 437.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H20ClNO4S2/c1-12(18(23)22-16-11-15(21)7-8-17(16)25-2)26-19(24)13-3-5-14(6-4-13)20-27-9-10-28-20/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,23)