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

Systemtic Name: methyl 5-[2-[ethyl-(2-methoxy-5-methyl-phenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[ethyl-(2-methoxy-5-methyl-phenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[ethyl-(2-methoxy-5-methyl-phenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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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=C(C=CC(=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S2/c1-5-24(32(27,28)20-10-14(2)6-8-17(20)29-3)13-21(25)23-16-7-9-18-15(11-16)12-19(31-18)22(26)30-4/h6-12H,5,13H2,1-4H3,(H,23,25)