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

Systemtic Name: (2-acetamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-diethyl-azanium Openeye Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-diethyl-ammonium CAS Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-diethylammonium IUPAC Name: (2-acetamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-diethylazanium Traditional Name: (2-acetamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-diethyl-ammonium Formula: C18H25N2O4S+ MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C)C(=O)OCC)O

InChI

InChI=1S/C18H24N2O4S/c1-5-20(6-2)10-12-8-9-13-14(18(23)24-7-3)17(19-11(4)21)25-16(13)15(12)22/h8-9,22H,5-7,10H2,1-4H3,(H,19,21)/p+1