ethyl 2-[[2-(cyclohexylamino)-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(cyclohexylamino)-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(cyclohexylamino)-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(cyclohexylamino)-1-oxo-2-phenylethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(cyclohexylamino)-2-phenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(cyclohexylamino)-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H34N2O3S MolecularWeight: 454.62476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C26H34N2O3S/c1-3-31-26(30)22-20-15-14-17(2)16-21(20)32-25(22)28-24(29)23(18-10-6-4-7-11-18)27-19-12-8-5-9-13-19/h4,6-7,10-11,17,19,23,27H,3,5,8-9,12-16H2,1-2H3,(H,28,29)