ethyl 2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)nipecotoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S3 MolecularWeight: 482.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S3/c1-2-28-21(25)18-15-8-3-4-9-16(15)30-20(18)22-19(24)14-7-5-11-23(13-14)31(26,27)17-10-6-12-29-17/h6,10,12,14H,2-5,7-9,11,13H2,1H3,(H,22,24)