(2-acetamido-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-methanoyloxyethyl)azanium

Systemtic Name: (2-acetamido-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-methanoyloxyethyl)azanium Openeye Name: (2-acetamido-3-ethoxycarbonyl-benzothiophen-6-yl)methyl-(2-formyloxyethyl)ammonium CAS Name: (2-acetamido-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-formyloxyethyl)ammonium IUPAC Name: (2-acetamido-3-ethoxycarbonyl-1-benzothiophen-6-yl)methyl-(2-formyloxyethyl)azanium Traditional Name: (2-acetamido-3-carbethoxy-benzothiophen-6-yl)methyl-(2-formyloxyethyl)ammonium Formula: C17H21N2O5S+ MolecularWeight: 365.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C[NH2+]CCOC=O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C[NH2+]CCOC=O)NC(=O)C

InChI

InChI=1S/C17H20N2O5S/c1-3-24-17(22)15-13-5-4-12(9-18-6-7-23-10-20)8-14(13)25-16(15)19-11(2)21/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,21)/p+1