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

Systemtic Name: methyl 2-(3-phenylsulfanylpropanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-phenylsulfanylpropanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylsulfanylpropanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(phenylthio)propanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S2/c1-23-17(22)12-7-8-14-15(11-12)25-18(19-14)20-16(21)9-10-24-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,21)