2-[[2-(ethanoylsulfanylmethyl)-4-methoxy-4-oxidanylidene-butanoyl]amino]-3-(ethylcarbamoylsulfanyl)propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-4-methoxy-4-oxidanylidene-butanoyl]amino]-3-(ethylcarbamoylsulfanyl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-4-methoxy-4-oxo-butanoyl]amino]-3-(ethylcarbamoylsulfanyl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-4-methoxy-1,4-dioxobutyl]amino]-3-(ethylcarbamoylthio)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-4-methoxy-4-oxobutanoyl]amino]-3-(ethylcarbamoylsulfanyl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-4-keto-4-methoxy-butanoyl]amino]-3-(ethylcarbamoylthio)propionic acid Formula: C14H22N2O7S2 MolecularWeight: 394.46368

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SCC(C(=O)O)NC(=O)C(CC(=O)OC)CSC(=O)C

Isomeric SMILES

CCNC(=O)SCC(C(=O)O)NC(=O)C(CC(=O)OC)CSC(=O)C

InChI

InChI=1S/C14H22N2O7S2/c1-4-15-14(22)25-7-10(13(20)21)16-12(19)9(5-11(18)23-3)6-24-8(2)17/h9-10H,4-7H2,1-3H3,(H,15,22)(H,16,19)(H,20,21)