(2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(3-nitroanilino)-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrophenyl)carbamoylamino]butyrate Formula: C12H14N3O5S- MolecularWeight: 312.32166

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-21-6-5-10(11(16)17)14-12(18)13-8-3-2-4-9(7-8)15(19)20/h2-4,7,10H,5-6H2,1H3,(H,16,17)(H2,13,14,18)/p-1/t10-/m0/s1