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

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

InChI

InChI=1S/C21H22N2O4S/c1-4-10-26-17-7-5-16(6-8-17)20(25)27-13-19(24)18-12-14(2)23(15(18)3)21-22-9-11-28-21/h5-9,11-12H,4,10,13H2,1-3H3