methyl 2-[2-(4-methylsulfanylphenyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-methylsulfanylphenyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(4-methylsulfanylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylsulfanylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[4-(methylthio)phenyl]acetyl]amino]-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)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16N2O3S2/c1-23-17(22)12-5-8-14-15(10-12)25-18(19-14)20-16(21)9-11-3-6-13(24-2)7-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)