methyl (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-sulfanylidene-pentanoate

Systemtic Name: methyl (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-sulfanylidene-pentanoate Openeye Name: methyl (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-thioxo-pentanoate CAS Name: (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-sulfanylidenepentanoic acid methyl ester IUPAC Name: methyl (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-sulfanylidenepentanoate Traditional Name: (3R,4S)-5-(dicyclohexylamino)-3,4-diphenyl-5-thioxo-valeric acid methyl ester Formula: C30H39NO2S MolecularWeight: 477.70116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=S)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)C(=S)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C30H39NO2S/c1-33-28(32)22-27(23-14-6-2-7-15-23)29(24-16-8-3-9-17-24)30(34)31(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-3,6-9,14-17,25-27,29H,4-5,10-13,18-22H2,1H3/t27-,29+/m0/s1