methyl 5-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OCC)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OCC)C

InChI

InChI=1S/C23H26N2O6S2/c1-5-25(33(28,29)18-8-9-19(31-6-2)15(3)11-18)14-22(26)24-17-7-10-20-16(12-17)13-21(32-20)23(27)30-4/h7-13H,5-6,14H2,1-4H3,(H,24,26)