methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbamoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[(4-nitroanilino)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[(4-nitrophenyl)carbamoylamino]butyric acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-21-12(17)11(7-8-22-2)15-13(18)14-9-3-5-10(6-4-9)16(19)20/h3-6,11H,7-8H2,1-2H3,(H2,14,15,18)