methyl 2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-[(E)-4-amino-5-sulfanyl-pent-2-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(E)-4-amino-5-mercaptopent-2-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-[(E)-4-amino-5-sulfanylpent-2-enoxy]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(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(=CC=C1)OCC=CC(CS)N

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S2/c1-23-18(22)16(8-10-26-2)20-17(21)13-5-3-7-15(11-13)24-9-4-6-14(19)12-25/h3-7,11,14,16,25H,8-10,12,19H2,1-2H3,(H,20,21)/b6-4+