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

Systemtic Name: ethyl 3-[6-ethoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethoxy-2-p-toluoylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-27-17-10-11-18-19(14-17)29-22(24(18)13-12-20(25)28-5-2)23-21(26)16-8-6-15(3)7-9-16/h6-11,14H,4-5,12-13H2,1-3H3