[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(phenylmethyl)thieno[3,2-b]pyrrole-5-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(phenylmethyl)thieno[3,2-b]pyrrole-5-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-benzylthieno[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-benzylthieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-benzylthieno[3,2-b]pyrrole-5-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

InChI

InChI=1S/C22H24N2O3S/c25-21(23-17-9-5-2-6-10-17)15-27-22(26)19-13-20-18(11-12-28-20)24(19)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14-15H2,(H,23,25)