3-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[(2-ethoxy-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-ethoxy-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[(2-ethoxy-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1CC(=O)N(C1=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CSC1CC(=O)N(C1=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H17NO6S/c1-3-23-14(19)8-24-12-7-13(18)17(15(12)20)11-6-10(16(21)22)5-4-9(11)2/h4-6,12H,3,7-8H2,1-2H3,(H,21,22)