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

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)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-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)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-phenylbutylamino)ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-2-8-17(16-9-4-3-5-10-16)23-20(25)15-27-22(26)14-13-21-24-18-11-6-7-12-19(18)28-21/h3-7,9-14,17H,2,8,15H2,1H3,(H,23,25)/b14-13+