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

Systemtic Name: ethyl 2-[6-acetamido-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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)CCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S2/c1-3-29-21(28)14-25-18-10-9-16(23-15(2)26)13-19(18)31-22(25)24-20(27)11-12-30-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,26)