propan-2-yl 2-(3-naphthalen-2-ylsulfonylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(3-naphthalen-2-ylsulfonylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[3-(2-naphthylsulfonyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2-naphthalenylsulfonyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-naphthalen-2-ylsulfonylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-naphthylsulfonyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C25H27NO5S2 MolecularWeight: 485.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27NO5S2/c1-16(2)31-25(28)23-20-9-5-6-10-21(20)32-24(23)26-22(27)13-14-33(29,30)19-12-11-17-7-3-4-8-18(17)15-19/h3-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1-2H3,(H,26,27)