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

Systemtic Name: ethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(p-tolylthio)propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-3-25-19(24)14-6-9-16-17(12-14)27-20(21-16)22-18(23)10-11-26-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,21,22,23)