methyl 3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-27-18-9-8-14(10-17(18)22(25)26)12-29-13-19(23)21-16(11-20(24)28-2)15-6-4-3-5-7-15/h3-10,16H,11-13H2,1-2H3,(H,21,23)