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

Systemtic Name: methyl 2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]naphthalen-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-[(E)-4-amino-5-sulfanyl-pent-2-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(E)-4-amino-5-mercaptopent-2-enoxy]-2-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-[(E)-4-amino-5-sulfanylpent-2-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(E)-4-amino-5-mercapto-pent-2-enoxy]-2-naphthoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2C=C1OCC=CC(CS)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2C=C1OC/C=C/C(CS)N

InChI

InChI=1S/C22H28N2O4S2/c1-27-22(26)19(9-11-30-2)24-21(25)18-12-15-6-3-4-7-16(15)13-20(18)28-10-5-8-17(23)14-29/h3-8,12-13,17,19,29H,9-11,14,23H2,1-2H3,(H,24,25)/b8-5+