[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

InChI

InChI=1S/C21H20ClNO4S2/c1-26-18-12-14(21-28-9-10-29-21)5-7-17(18)27-20(25)13-4-6-15(22)16(11-13)23-8-2-3-19(23)24/h4-7,11-12,21H,2-3,8-10H2,1H3