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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17ClN2O3S2 MolecularWeight: 420.93288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3S2/c1-25-18(24)12-4-9-15-16(11-12)27-19(21-15)22-17(23)3-2-10-26-14-7-5-13(20)6-8-14/h4-9,11H,2-3,10H2,1H3,(H,21,22,23)