[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O4S/c1-12-11-28-21(22-12)23-13(2)8-16(14(23)3)17(24)10-26-20(25)19-9-15-6-4-5-7-18(15)27-19/h4-9,11H,10H2,1-3H3