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

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-[(4-methyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(4-methyl-2-oxo-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[(4-methyl-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylbutan-2-yl)-2-[(4-methyl-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-keto-4-methyl-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4OC3=O)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C27H31NO5S/c1-6-27(4,5)16-12-13-18-20(14-16)34-24(22(18)25(30)32-7-2)28-23(29)21-15(3)17-10-8-9-11-19(17)33-26(21)31/h8-11,16H,6-7,12-14H2,1-5H3,(H,28,29)