ethyl 2-[(3-acetyloxyphenyl)carbonylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-acetyloxyphenyl)carbonylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-acetoxybenzoyl)amino]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-acetyloxyphenyl)-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-acetyloxybenzoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-acetoxybenzoyl)amino]-6-tert-amyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)OC(=O)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)OC(=O)C

InChI

InChI=1S/C25H31NO5S/c1-6-25(4,5)17-11-12-19-20(14-17)32-23(21(19)24(29)30-7-2)26-22(28)16-9-8-10-18(13-16)31-15(3)27/h8-10,13,17H,6-7,11-12,14H2,1-5H3,(H,26,28)