2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-carbomethoxy-1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21NO5S/c1-11-17(18(20(25)26-3)12(2)21(11)13-8-9-13)15(22)10-27-16-7-5-4-6-14(16)19(23)24/h4-7,13H,8-10H2,1-3H3,(H,23,24)