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

Systemtic Name: methyl 2-acetamido-7-chloranyl-6-[(4-oxidanylbutylamino)methyl]-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)C(=C(C=C2)CNCCCCO)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)C(=C(C=C2)CNCCCCO)Cl)C(=O)OC

InChI

InChI=1S/C17H21ClN2O4S/c1-10(22)20-16-13(17(23)24-2)12-6-5-11(14(18)15(12)25-16)9-19-7-3-4-8-21/h5-6,19,21H,3-4,7-9H2,1-2H3,(H,20,22)