tert-butyl (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-(naphthalen-1-ylsulfanylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

Systemtic Name: tert-butyl (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-(naphthalen-1-ylsulfanylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Openeye Name: tert-butyl (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-(1-naphthylsulfanylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate CAS Name: (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-[(1-naphthalenylthio)methyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-(naphthalen-1-ylsulfanylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Traditional Name: (3aR,4S,6S,6aS)-6-(cyanomethyl)-2,2-dimethyl-4-[(1-naphthylthio)methyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(C2O1)CSC3=CC=CC4=CC=CC=C43)C(=O)OC(C)(C)C)CC#N)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](N([C@@H]([C@H]2O1)CSC3=CC=CC4=CC=CC=C43)C(=O)OC(C)(C)C)CC#N)C

InChI

InChI=1S/C25H30N2O4S/c1-24(2,3)31-23(28)27-18(13-14-26)21-22(30-25(4,5)29-21)19(27)15-32-20-12-8-10-16-9-6-7-11-17(16)20/h6-12,18-19,21-22H,13,15H2,1-5H3/t18-,19+,21-,22+/m0/s1