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

Systemtic Name: ethyl 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S3 MolecularWeight: 530.67934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N2O5S3/c1-2-32-25(29)22-18-10-5-6-11-20(18)34-24(22)26-23(28)19-14-16-8-3-4-9-17(16)15-27(19)35(30,31)21-12-7-13-33-21/h3-4,7-9,12-13,19H,2,5-6,10-11,14-15H2,1H3,(H,26,28)