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

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-[(2-oxidanylidenechromen-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(2-oxochromene-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-sulfanylidenemethyl]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)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-ketochromene-3-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S2/c1-5-27(3,4)16-11-12-17-20(14-16)36-23(21(17)25(32)33-6-2)29-26(35)28-22(30)18-13-15-9-7-8-10-19(15)34-24(18)31/h7-10,13,16H,5-6,11-12,14H2,1-4H3,(H2,28,29,30,35)