methyl 2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-23-17(22)13-8-9-14-15(11-13)24-18(19-14)20-16(21)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20,21)