2-[2-[[5-chloranyl-3-(6-methoxypyridin-3-yl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[5-chloranyl-3-(6-methoxypyridin-3-yl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[5-chloro-3-(6-methoxypyridine-3-carbonyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[5-chloro-3-[(6-methoxy-3-pyridinyl)-oxomethyl]-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[5-chloro-3-(6-methoxypyridine-3-carbonyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[5-chloro-3-(6-methoxynicotinoyl)-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C15H13ClN2O5S2 MolecularWeight: 400.85712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)C2=C(SC(=C2)Cl)NC(=O)CSCC(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)C2=C(SC(=C2)Cl)NC(=O)CSCC(=O)O

InChI

InChI=1S/C15H13ClN2O5S2/c1-23-12-3-2-8(5-17-12)14(22)9-4-10(16)25-15(9)18-11(19)6-24-7-13(20)21/h2-5H,6-7H2,1H3,(H,18,19)(H,20,21)