cyclohexyl (3S)-4-oxidanylidene-4-pyridin-2-ylsulfanyl-3-[(triphenylmethyl)amino]butanoate

Systemtic Name: cyclohexyl (3S)-4-oxidanylidene-4-pyridin-2-ylsulfanyl-3-[(triphenylmethyl)amino]butanoate Openeye Name: cyclohexyl (3S)-4-oxo-4-(2-pyridylsulfanyl)-3-(tritylamino)butanoate CAS Name: (3S)-4-oxo-4-(2-pyridinylthio)-3-[(triphenylmethyl)amino]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-4-oxo-4-pyridin-2-ylsulfanyl-3-(tritylamino)butanoate Traditional Name: (3S)-4-keto-4-(2-pyridylthio)-3-(tritylamino)butyric acid cyclohexyl ester Formula: C34H34N2O3S MolecularWeight: 550.71036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC(C(=O)SC2=CC=CC=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)C[C@@H](C(=O)SC2=CC=CC=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H34N2O3S/c37-32(39-29-21-11-4-12-22-29)25-30(33(38)40-31-23-13-14-24-35-31)36-34(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-3,5-10,13-20,23-24,29-30,36H,4,11-12,21-22,25H2/t30-/m0/s1