ethyl 2-acetamido-7-chloranyl-6-(4-oxidanylbutyliminomethyl)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-chloranyl-6-(4-oxidanylbutyliminomethyl)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-chloro-6-(4-hydroxybutyliminomethyl)benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-chloro-6-(4-hydroxybutyliminomethyl)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-chloro-6-(4-hydroxybutyliminomethyl)-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-chloro-6-(4-hydroxybutyliminomethyl)benzothiophene-3-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCCCCO)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCCCCO)NC(=O)C

InChI

InChI=1S/C18H21ClN2O4S/c1-3-25-18(24)14-13-7-6-12(10-20-8-4-5-9-22)15(19)16(13)26-17(14)21-11(2)23/h6-7,10,22H,3-5,8-9H2,1-2H3,(H,21,23)