ethyl 5-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O5S2/c1-3-30-22(27)20-12-15-11-16(7-8-19(15)31-20)23-21(26)18-13-17(14-24(18)2)32(28,29)25-9-5-4-6-10-25/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,26)