methyl 2-(4-chloranylbutanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCl

InChI

InChI=1S/C13H13ClN2O3S/c1-19-12(18)8-4-5-9-10(7-8)20-13(15-9)16-11(17)3-2-6-14/h4-5,7H,2-3,6H2,1H3,(H,15,16,17)