methyl 2-methyl-3-(2-nitrophenyl)sulfanyl-propanoate

Systemtic Name: methyl 2-methyl-3-(2-nitrophenyl)sulfanyl-propanoate Openeye Name: methyl 2-methyl-3-(2-nitrophenyl)sulfanyl-propanoate CAS Name: 2-methyl-3-[(2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: 2-methyl-3-[(2-nitrophenyl)thio]propionic acid methyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(CSC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H13NO4S/c1-8(11(13)16-2)7-17-10-6-4-3-5-9(10)12(14)15/h3-6,8H,7H2,1-2H3