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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S3/c1-13-8-9-14-16(12-13)30-20(18(14)21(25)28-2)22-19(24)15-6-3-4-10-23(15)31(26,27)17-7-5-11-29-17/h5,7,11,13,15H,3-4,6,8-10,12H2,1-2H3,(H,22,24)