2-[2-[(3-chlorophenyl)-methoxycarbonyl-amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(3-chlorophenyl)-methoxycarbonyl-amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-chloro-N-methoxycarbonyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-chloro-N-methoxycarbonylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-chloro-N-methoxycarbonylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(N-carbomethoxy-3-chloro-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1=CC(=CC=C1)Cl)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC(=O)N(C1=CC(=CC=C1)Cl)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H13ClN2O5S/c1-24-16(23)19(11-5-2-4-10(17)8-11)13(20)9-25-14-12(15(21)22)6-3-7-18-14/h2-8H,9H2,1H3,(H,21,22)