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

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylbutan-2-yl)-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-ketochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C26H29NO5S/c1-5-26(3,4)16-11-12-17-20(14-16)33-23(21(17)25(30)31-6-2)27-22(28)18-13-15-9-7-8-10-19(15)32-24(18)29/h7-10,13,16H,5-6,11-12,14H2,1-4H3,(H,27,28)