ethyl 3-[5-methoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[5-methoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[5-methoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-methoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(5-methoxy-2-m-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=CC(=C2)OC)SC1=NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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