[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

InChI

InChI=1S/C19H18N2O3S/c1-12-6-4-5-7-15(12)18(23)24-11-17(22)16-10-13(2)21(14(16)3)19-20-8-9-25-19/h4-10H,11H2,1-3H3