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

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

InChI

InChI=1S/C20H20N2O4S/c1-4-25-16-7-5-15(6-8-16)19(24)26-12-18(23)17-11-13(2)22(14(17)3)20-21-9-10-27-20/h5-11H,4,12H2,1-3H3