(2-acetamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-cyclohexyl-azanium

Systemtic Name: (2-acetamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-cyclohexyl-azanium Openeye Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-cyclohexyl-ammonium CAS Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-cyclohexylammonium IUPAC Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-cyclohexylazanium Traditional Name: (2-acetamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-cyclohexyl-ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH2+]C3CCCCC3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH2+]C3CCCCC3)NC(=O)C

InChI

InChI=1S/C20H26N2O4S/c1-3-26-20(25)16-15-10-9-13(11-21-14-7-5-4-6-8-14)17(24)18(15)27-19(16)22-12(2)23/h9-10,14,21,24H,3-8,11H2,1-2H3,(H,22,23)/p+1