methyl 3-[6-ethoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethoxy-2-p-toluoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C)S2)CCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-27-16-9-10-17-18(13-16)28-21(23(17)12-11-19(24)26-3)22-20(25)15-7-5-14(2)6-8-15/h5-10,13H,4,11-12H2,1-3H3