propan-2-yl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate CAS Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonylamino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonylamino]butyric acid isopropyl ester Formula: C14H20N2O6S2 MolecularWeight: 376.4484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O6S2/c1-10(2)22-14(17)11(8-9-23-3)15-24(20,21)13-7-5-4-6-12(13)16(18)19/h4-7,10-11,15H,8-9H2,1-3H3