ethyl 6-tert-butyl-2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2-naphthylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-(2-naphthalenylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2-naphthylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H29NO4S2 MolecularWeight: 471.63206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29NO4S2/c1-5-30-24(27)22-20-13-11-18(25(2,3)4)15-21(20)31-23(22)26-32(28,29)19-12-10-16-8-6-7-9-17(16)14-19/h6-10,12,14,18,26H,5,11,13,15H2,1-4H3