[2-oxidanylidene-2-(1-phenylethylamino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O3S/c1-14(15-7-3-2-4-8-15)21-18(23)13-25-20(24)12-11-19-22-16-9-5-6-10-17(16)26-19/h2-12,14H,13H2,1H3,(H,21,23)/b12-11+