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

Systemtic Name: 2-[1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid Openeye Name: 2-[1-(4-butoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpropanoic acid CAS Name: 2-[[1-[4-[butoxy(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-[1-(4-butoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-(4-butoxycarbonylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(C)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(C)C(=O)O

InChI

InChI=1S/C18H21NO6S/c1-3-4-9-25-18(24)12-5-7-13(8-6-12)19-15(20)10-14(16(19)21)26-11(2)17(22)23/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,22,23)