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

Systemtic Name: methyl 3-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-15-8-10-17-18(14-15)27-21(23(17)13-12-20(25)26-2)22-19(24)11-9-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13H2,1-2H3