phenacyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: phenacyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acrylic acid phenacyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=CC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C/C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-14-12-17(15(2)22(14)20-21-10-11-26-20)8-9-19(24)25-13-18(23)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/b9-8+