methyl 5-acetyloxy-4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)pentanoate

Systemtic Name: methyl 5-acetyloxy-4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)pentanoate Openeye Name: methyl 5-acetoxy-4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)pentanoate CAS Name: 5-acetyloxy-4-[[ethoxy(sulfanylidene)methyl]thio]-2-(methoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-acetyloxy-4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)pentanoate Traditional Name: 5-acetoxy-2-(carbomethoxyamino)-4-(ethoxycarbothioylthio)valeric acid methyl ester Formula: C13H21NO7S2 MolecularWeight: 367.43834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC(C(=O)OC)NC(=O)OC)COC(=O)C

Isomeric SMILES

CCOC(=S)SC(CC(C(=O)OC)NC(=O)OC)COC(=O)C

InChI

InChI=1S/C13H21NO7S2/c1-5-20-13(22)23-9(7-21-8(2)15)6-10(11(16)18-3)14-12(17)19-4/h9-10H,5-7H2,1-4H3,(H,14,17)