3-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid Openeye Name: 3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpropanoic acid CAS Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC(=O)O

InChI

InChI=1S/C16H17NO6S/c1-2-23-16(22)10-3-5-11(6-4-10)17-13(18)9-12(15(17)21)24-8-7-14(19)20/h3-6,12H,2,7-9H2,1H3,(H,19,20)