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

Systemtic Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3S2/c1-24-17(23)11-2-7-14-15(10-11)26-18(20-14)21-16(22)8-9-25-13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,21,22)