methyl 4-methyl-3-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CS[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-12-7-8-15(19(23)26-3)10-17(12)20-18(22)11-27-13(2)14-5-4-6-16(9-14)21(24)25/h4-10,13H,11H2,1-3H3,(H,20,22)/t13-/m1/s1