2-methylsulfanylethyl (7Z)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate

Systemtic Name: 2-methylsulfanylethyl (7Z)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate Openeye Name: 2-methylsulfanylethyl (7Z)-1-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate CAS Name: (7Z)-1-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (7Z)-1-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate Traditional Name: (7Z)-2-keto-1-p-anisyl-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylic acid 2-(methylthio)ethyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)CCCC(C=C2C3=CC=CC=C3)C(=O)OCCSC

Isomeric SMILES

COC1=CC=C(C=C1)CN/2C(=O)CCCC(/C=C2/C3=CC=CC=C3)C(=O)OCCSC

InChI

InChI=1S/C25H29NO4S/c1-29-22-13-11-19(12-14-22)18-26-23(20-7-4-3-5-8-20)17-21(9-6-10-24(26)27)25(28)30-15-16-31-2/h3-5,7-8,11-14,17,21H,6,9-10,15-16,18H2,1-2H3/b23-17-