ethyl 2-[[[(S)-tert-butylsulfinyl]amino]-naphthalen-2-yl-methyl]-1,3-dithiolane-2-carboxylate

Systemtic Name: ethyl 2-[[[(S)-tert-butylsulfinyl]amino]-naphthalen-2-yl-methyl]-1,3-dithiolane-2-carboxylate Openeye Name: ethyl 2-[[[(S)-tert-butylsulfinyl]amino]-(2-naphthyl)methyl]-1,3-dithiolane-2-carboxylate CAS Name: 2-[[[(S)-tert-butylsulfinyl]amino]-(2-naphthalenyl)methyl]-1,3-dithiolane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[(S)-tert-butylsulfinyl]amino]-naphthalen-2-ylmethyl]-1,3-dithiolane-2-carboxylate Traditional Name: 2-[[[(S)-tert-butylsulfinyl]amino]-(2-naphthyl)methyl]-1,3-dithiolane-2-carboxylic acid ethyl ester Formula: C21H27NO3S3 MolecularWeight: 437.63898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCCS1)C(C2=CC3=CC=CC=C3C=C2)NS(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1(SCCS1)C(C2=CC3=CC=CC=C3C=C2)N[S@@](=O)C(C)(C)C

InChI

InChI=1S/C21H27NO3S3/c1-5-25-19(23)21(26-12-13-27-21)18(22-28(24)20(2,3)4)17-11-10-15-8-6-7-9-16(15)14-17/h6-11,14,18,22H,5,12-13H2,1-4H3/t18?,28-/m0/s1