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

Systemtic Name: methyl 3-[6-ethoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethoxy-2-m-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(=CC=C3)C)S2)CCC(=O)OC

Isomeric SMILES

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

InChI

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