methyl 2-[[4-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(E)-4-amino-5-sulfanyl-pent-2-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(E)-4-amino-5-mercaptopent-2-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(E)-4-amino-5-sulfanylpent-2-enoxy]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(E)-4-amino-5-mercapto-pent-2-enoxy]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)OCC=CC(CS)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)OC/C=C/C(CS)N

InChI

InChI=1S/C18H26N2O4S2/c1-23-18(22)16(9-11-26-2)20-17(21)13-5-7-15(8-6-13)24-10-3-4-14(19)12-25/h3-8,14,16,25H,9-12,19H2,1-2H3,(H,20,21)/b4-3+