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

Systemtic Name: (2-benzamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-diethyl-azanium Openeye Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-diethyl-ammonium CAS Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-diethylammonium IUPAC Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-diethylazanium Traditional Name: (2-benzamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-diethyl-ammonium Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O

InChI

InChI=1S/C23H26N2O4S/c1-4-25(5-2)14-16-12-13-17-18(23(28)29-6-3)22(30-20(17)19(16)26)24-21(27)15-10-8-7-9-11-15/h7-13,26H,4-6,14H2,1-3H3,(H,24,27)/p+1