tert-butyl (2S)-2-azanyl-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butanoate Openeye Name: tert-butyl (2S)-2-amino-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butanoate CAS Name: (2S)-2-amino-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butanoate Traditional Name: (2S)-2-amino-4-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]butyric acid tert-butyl ester Formula: C18H27NO3S2 MolecularWeight: 369.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC1(SCCS1)C2=CC=C(C=C2)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC1(SCCS1)C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C18H27NO3S2/c1-17(2,3)22-16(20)15(19)9-10-18(23-11-12-24-18)13-5-7-14(21-4)8-6-13/h5-8,15H,9-12,19H2,1-4H3/t15-/m0/s1