methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalen-1-yl)carbothioylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalen-1-yl)carbothioylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalene-1-carbothioyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(5-nitro-1-naphthalenyl)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalene-1-carbothioyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(5-nitronaphthalene-1-carbothioyl)amino]butyric acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=S)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=S)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-23-17(20)14(9-10-25-2)18-16(24)13-7-3-6-12-11(13)5-4-8-15(12)19(21)22/h3-8,14H,9-10H2,1-2H3,(H,18,24)/t14-/m0/s1