ethyl (2R)-2-(dodecanoylamino)-4-phenylsulfanyl-pent-4-enoate

Systemtic Name: ethyl (2R)-2-(dodecanoylamino)-4-phenylsulfanyl-pent-4-enoate Openeye Name: ethyl (2R)-2-(dodecanoylamino)-4-phenylsulfanyl-pent-4-enoate CAS Name: (2R)-2-(1-oxododecylamino)-4-(phenylthio)-4-pentenoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(dodecanoylamino)-4-phenylsulfanylpent-4-enoate Traditional Name: (2R)-2-(lauroylamino)-4-(phenylthio)pent-4-enoic acid ethyl ester Formula: C25H39NO3S MolecularWeight: 433.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC(=C)SC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@H](CC(=C)SC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C25H39NO3S/c1-4-6-7-8-9-10-11-12-16-19-24(27)26-23(25(28)29-5-2)20-21(3)30-22-17-14-13-15-18-22/h13-15,17-18,23H,3-12,16,19-20H2,1-2H3,(H,26,27)/t23-/m1/s1