ethyl 3-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-hydrocinnamoylimino-6-methyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-3-27-21(26)13-14-24-18-11-9-16(2)15-19(18)28-22(24)23-20(25)12-10-17-7-5-4-6-8-17/h4-9,11,15H,3,10,12-14H2,1-2H3