methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(p-tolylsulfanyl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(p-tolylthio)propanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N2O3S2/c1-12-3-6-14(7-4-12)25-10-9-17(22)21-19-20-15-8-5-13(18(23)24-2)11-16(15)26-19/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)