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

Systemtic Name: methyl 2-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-hydrocinnamoylimino-6-methyl-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-14-8-10-16-17(12-14)26-20(22(16)13-19(24)25-2)21-18(23)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3