methyl 2-(phenylmethoxycarbonylamino)-3-(2,2,5,5-tetramethylcyclopentyl)sulfanyl-propanoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-3-(2,2,5,5-tetramethylcyclopentyl)sulfanyl-propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(2,2,5,5-tetramethylcyclopentyl)sulfanyl-propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-[(2,2,5,5-tetramethylcyclopentyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-3-(2,2,5,5-tetramethylcyclopentyl)sulfanylpropanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(2,2,5,5-tetramethylcyclopentyl)thio]propionic acid methyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C1SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)(C)C)C

Isomeric SMILES

CC1(CCC(C1SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)(C)C)C

InChI

InChI=1S/C21H31NO4S/c1-20(2)11-12-21(3,4)18(20)27-14-16(17(23)25-5)22-19(24)26-13-15-9-7-6-8-10-15/h6-10,16,18H,11-14H2,1-5H3,(H,22,24)