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

Systemtic Name: methyl 2-(3-phenylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-phenylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-3-phenylpropyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-hydrocinnamoylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-3-13-23-17-11-10-16(20(25)26-2)14-18(17)27-21(23)22-19(24)12-9-15-7-5-4-6-8-15/h1,4-8,10-11,14H,9,12-13H2,2H3