ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-oxomethyl]amino]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O5S2/c1-4-31-21(27)19-17-9-11-23(2,3)13-18(17)32-20(19)24-22(28)25-33(29,30)26-12-10-15-7-5-6-8-16(15)14-26/h5-8H,4,9-14H2,1-3H3,(H2,24,25,28)