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

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3S/c1-2-20-13(19)9-5-6-10-11(8-9)21-14(16-10)17-12(18)4-3-7-15/h5-6,8H,2-4,7H2,1H3,(H,16,17,18)