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

Systemtic Name: ethyl 3-acetamido-7-chloranyl-6-[(2-hydroxyethylamino)methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-7-chloro-6-[(2-hydroxyethylamino)methyl]benzothiophene-2-carboxylate CAS Name: 3-acetamido-7-chloro-6-[(2-hydroxyethylamino)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-7-chloro-6-[(2-hydroxyethylamino)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-7-chloro-6-[(2-hydroxyethylamino)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)CNCCO)Cl)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)CNCCO)Cl)NC(=O)C

InChI

InChI=1S/C16H19ClN2O4S/c1-3-23-16(22)15-13(19-9(2)21)11-5-4-10(8-18-6-7-20)12(17)14(11)24-15/h4-5,18,20H,3,6-8H2,1-2H3,(H,19,21)