ethyl 6-tert-butyl-2-[(4-ethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(4-ethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(4-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(4-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(4-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C24H31NO4S/c1-6-28-17-11-8-15(9-12-17)21(26)25-22-20(23(27)29-7-2)18-13-10-16(24(3,4)5)14-19(18)30-22/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3,(H,25,26)