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

Systemtic Name: 2-[1-(3-methoxycarbonyl-5-methyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(3-methoxycarbonyl-5-methyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-methoxycarbonyl-5-methyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(3-methoxycarbonyl-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(3-carbomethoxy-5-methyl-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C18H15NO6S2 MolecularWeight: 405.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C(=O)OC

InChI

InChI=1S/C18H15NO6S2/c1-9-7-11(18(24)25-2)16(26-9)19-14(20)8-13(15(19)21)27-12-6-4-3-5-10(12)17(22)23/h3-7,13H,8H2,1-2H3,(H,22,23)