ethyl 2-[6-acetamido-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-28-20(27)13-24-17-10-9-16(22-14(2)25)12-18(17)29-21(24)23-19(26)11-15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)