ethyl (5Z,7E)-5-ethyl-1-(phenylmethyl)-4-phenylsulfanyl-3,4-dihydro-2H-azocine-7-carboxylate

Systemtic Name: ethyl (5Z,7E)-5-ethyl-1-(phenylmethyl)-4-phenylsulfanyl-3,4-dihydro-2H-azocine-7-carboxylate Openeye Name: ethyl (5Z,7E)-1-benzyl-5-ethyl-4-phenylsulfanyl-3,4-dihydro-2H-azocine-7-carboxylate CAS Name: (5Z,7E)-5-ethyl-1-(phenylmethyl)-4-(phenylthio)-3,4-dihydro-2H-azocine-7-carboxylic acid ethyl ester IUPAC Name: ethyl (5Z,7E)-1-benzyl-5-ethyl-4-phenylsulfanyl-3,4-dihydro-2H-azocine-7-carboxylate Traditional Name: (5Z,7E)-1-benzyl-5-ethyl-4-(phenylthio)-3,4-dihydro-2H-azocine-7-carboxylic acid ethyl ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN(CCC1SC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC/C/1=C/C(=C\N(CCC1SC2=CC=CC=C2)CC3=CC=CC=C3)/C(=O)OCC

InChI

InChI=1S/C25H29NO2S/c1-3-21-17-22(25(27)28-4-2)19-26(18-20-11-7-5-8-12-20)16-15-24(21)29-23-13-9-6-10-14-23/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3/b21-17-,22-19+