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

Systemtic Name: ethyl 2-(azepan-1-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(azepan-1-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[(1-azepanylsulfonylamino)-oxomethyl]amino]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(azepan-1-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonylcarbamoylamino)-6,6-dimethyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O5S2/c1-4-28-18(24)16-14-9-10-20(2,3)13-15(14)29-17(16)21-19(25)22-30(26,27)23-11-7-5-6-8-12-23/h4-13H2,1-3H3,(H2,21,22,25)