ethyl 5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(3-piperidinosulfonylthiophene-2-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O5S3/c1-2-28-21(25)17-13-14-12-15(6-7-16(14)30-17)22-20(24)19-18(8-11-29-19)31(26,27)23-9-4-3-5-10-23/h6-8,11-13H,2-5,9-10H2,1H3,(H,22,24)