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

Systemtic Name: ethyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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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)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-21(26)19-11-14-10-15(6-7-18(14)30-19)22-20(25)17-12-16(13-23(17)2)31(27,28)24-8-4-5-9-24/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,25)