(2-acetamido-7-chloranyl-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (2-acetamido-7-chloranyl-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-hydroxyethyl)azanium Openeye Name: (2-acetamido-7-chloro-3-ethoxycarbonyl-benzothiophen-6-yl)methyl-(2-hydroxyethyl)ammonium CAS Name: (2-acetamido-7-chloro-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (2-acetamido-7-chloro-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-hydroxyethyl)azanium Traditional Name: (2-acetamido-3-carbethoxy-7-chloro-benzothiophen-6-yl)methyl-(2-hydroxyethyl)ammonium Formula: C16H20ClN2O4S+ MolecularWeight: 371.859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C[NH2+]CCO)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C[NH2+]CCO)NC(=O)C

InChI

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