4-[[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-propyl-carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylate

Systemtic Name: 4-[[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-propyl-carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylate Openeye Name: 4-[[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-propyl-carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate CAS Name: 4-[[[[2-(3-methylbutylamino)-2-oxoethyl]thio]-propylamino]-oxomethyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate IUPAC Name: 4-[[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-propylcarbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate Traditional Name: 4-[[[2-(isoamylamino)-2-keto-ethyl]thio]-propyl-carbamoyl]-2,2-diketo-1,3,2-dioxathiolane-4-carboxylate Formula: C14H23N2O8S2- MolecularWeight: 411.47102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1(COS(=O)(=O)O1)C(=O)[O-])SCC(=O)NCCC(C)C

Isomeric SMILES

CCCN(C(=O)C1(COS(=O)(=O)O1)C(=O)[O-])SCC(=O)NCCC(C)C

InChI

InChI=1S/C14H24N2O8S2/c1-4-7-16(25-8-11(17)15-6-5-10(2)3)12(18)14(13(19)20)9-23-26(21,22)24-14/h10H,4-9H2,1-3H3,(H,15,17)(H,19,20)/p-1