ethyl 3-[2-(3,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(3,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O3S/c1-4-26-19(24)11-12-23-17-7-5-6-8-18(17)27-21(23)22-20(25)16-10-9-14(2)15(3)13-16/h5-10,13H,4,11-12H2,1-3H3