ethyl (2S)-2-azanyl-6-[3,3,6-trimethyl-2,2,4,4-tetrakis(oxidanylidene)-1,2,4,5,7-oxadithiadiazepin-5-yl]hexanoate hydrochloride

Systemtic Name: ethyl (2S)-2-azanyl-6-[3,3,6-trimethyl-2,2,4,4-tetrakis(oxidanylidene)-1,2,4,5,7-oxadithiadiazepin-5-yl]hexanoate hydrochloride Openeye Name: ethyl (2S)-2-amino-6-(3,3,6-trimethyl-2,2,4,4-tetraoxo-1,2,4,5,7-oxadithiadiazepin-5-yl)hexanoate hydrochloride CAS Name: (2S)-2-amino-6-(3,3,6-trimethyl-2,2,4,4-tetraoxo-1,2,4,5,7-oxadithiadiazepin-5-yl)hexanoic acid ethyl ester hydrochloride IUPAC Name: ethyl (2S)-2-amino-6-(3,3,6-trimethyl-2,2,4,4-tetraoxo-1,2,4,5,7-oxadithiadiazepin-5-yl)hexanoate hydrochloride Traditional Name: (2S)-2-amino-6-(2,2,4,4-tetraketo-3,3,6-trimethyl-1,2,4,5,7-oxadithiadiazepin-5-yl)hexanoic acid ethyl ester hydrochloride Formula: C13H26ClN3O7S2 MolecularWeight: 435.94444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C(=NOS(=O)(=O)C(S1(=O)=O)(C)C)C)N.Cl

Isomeric SMILES

CCOC(=O)[C@H](CCCCN1C(=NOS(=O)(=O)C(S1(=O)=O)(C)C)C)N.Cl

InChI

InChI=1S/C13H25N3O7S2.ClH/c1-5-22-12(17)11(14)8-6-7-9-16-10(2)15-23-25(20,21)13(3,4)24(16,18)19;/h11H,5-9,14H2,1-4H3;1H/t11-;/m0./s1