ethyl 3-[2-(3,4-dimethylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(3,4-dimethylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-6-30-19(26)11-12-25-20-17(28-4)9-10-18(29-5)21(20)31-23(25)24-22(27)16-8-7-14(2)15(3)13-16/h7-10,13H,6,11-12H2,1-5H3