2-[1-(3-methoxycarbonylthiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(3-methoxycarbonylthiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(3-methoxycarbonyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-methoxycarbonyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(3-methoxycarbonylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(3-carbomethoxy-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C17H13NO6S2 MolecularWeight: 391.41822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO6S2/c1-24-17(23)10-6-7-25-15(10)18-13(19)8-12(14(18)20)26-11-5-3-2-4-9(11)16(21)22/h2-7,12H,8H2,1H3,(H,21,22)