methyl 4-chloranyl-2-[2-(4-methoxy-4-oxidanylidene-butyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[2-(4-methoxy-4-oxidanylidene-butyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[2-(4-methoxy-4-oxo-butyl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-2-[[2-[(4-methoxy-4-oxobutyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[2-(4-methoxy-4-oxobutyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[(4-keto-4-methoxy-butyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

Isomeric SMILES

COC(=O)CCCSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

InChI

InChI=1S/C15H18ClNO5S/c1-21-14(19)4-3-7-23-9-13(18)17-12-8-10(16)5-6-11(12)15(20)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,18)