ethyl 2-acetamido-7-chloranyl-6-[(4-oxidanylbutylamino)methyl]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-chloranyl-6-[(4-oxidanylbutylamino)methyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-chloro-6-[(4-hydroxybutylamino)methyl]benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-chloro-6-[(4-hydroxybutylamino)methyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-chloro-6-[(4-hydroxybutylamino)methyl]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-chloro-6-[(4-hydroxybutylamino)methyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O4S/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/h6-7,20,22H,3-5,8-10H2,1-2H3,(H,21,23)