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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=CC=C(C=C3)C

InChI

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