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

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=NC=CS2)C

Isomeric SMILES

CC/C=C/C(=O)OCC(=O)C1=C(N(C(=C1)C)C2=NC=CS2)C

InChI

InChI=1S/C16H18N2O3S/c1-4-5-6-15(20)21-10-14(19)13-9-11(2)18(12(13)3)16-17-7-8-22-16/h5-9H,4,10H2,1-3H3/b6-5+