ethyl 3-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-hydrocinnamoylimino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-25-19(24)15-10-11-16-17(13-15)26-20(22(16)2)21-18(23)12-9-14-7-5-4-6-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3