2-[1-(3-chloranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(3-chloranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-chloro-4-methoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-chloro-4-methoxy-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)Cl

InChI

InChI=1S/C17H13ClN2O5S/c1-25-12-5-4-9(7-11(12)18)20-14(21)8-13(16(20)22)26-15-10(17(23)24)3-2-6-19-15/h2-7,13H,8H2,1H3,(H,23,24)