[2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C

InChI

InChI=1S/C31H35N3O3S/c1-5-31(3,4)19-11-12-20-23(16-32)29(38-26(20)15-19)34-27(35)17-37-30(36)28-21-8-6-7-9-24(21)33-25-13-10-18(2)14-22(25)28/h6-9,18-19H,5,10-15,17H2,1-4H3,(H,34,35)