(2-benzamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dimethyl-azanium

Systemtic Name: (2-benzamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dimethyl-azanium Openeye Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-dimethyl-ammonium CAS Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dimethylammonium IUPAC Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dimethylazanium Traditional Name: (2-benzamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-dimethyl-ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH+](C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)C[NH+](C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-4-27-21(26)16-15-11-10-14(12-23(2)3)17(24)18(15)28-20(16)22-19(25)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3,(H,22,25)/p+1