methyl 6-(2-methylbutan-2-yl)-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[anilino(oxo)methyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-5-22(2,3)14-11-12-16-17(13-14)28-19(18(16)20(25)27-4)24-21(26)23-15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3,(H2,23,24,26)