4-chloranyl-2-[(4-methoxy-4-oxidanylidene-butanethioyl)amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[(4-methoxy-4-oxidanylidene-butanethioyl)amino]benzoic acid Openeye Name: 4-chloro-2-[(4-methoxy-4-oxo-butanethioyl)amino]benzoic acid CAS Name: 4-chloro-2-[(4-methoxy-4-oxo-1-sulfanylidenebutyl)amino]benzoic acid IUPAC Name: 4-chloro-2-[(4-methoxy-4-oxobutanethioyl)amino]benzoic acid Traditional Name: 4-chloro-2-[(4-keto-4-methoxy-butanethioyl)amino]benzoic acid Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=S)NC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

COC(=O)CCC(=S)NC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO4S/c1-18-11(15)5-4-10(19)14-9-6-7(13)2-3-8(9)12(16)17/h2-3,6H,4-5H2,1H3,(H,14,19)(H,16,17)