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

Systemtic Name: ethyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-acetamido-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-3-29-21(28)14-25-18-11-10-17(23-15(2)26)13-19(18)30-22(25)24-20(27)12-9-16-7-5-4-6-8-16/h4-8,10-11,13H,3,9,12,14H2,1-2H3,(H,23,26)