2-[(5-methyl-2-nitro-phenyl)-phenylmethoxycarbonyl-amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(5-methyl-2-nitro-phenyl)-phenylmethoxycarbonyl-amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(N-benzyloxycarbonyl-5-methyl-2-nitro-anilino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(5-methyl-2-nitro-N-phenylmethoxycarbonylanilino)propanoic acid IUPAC Name: 2-(5-methyl-2-nitro-N-phenylmethoxycarbonylanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(N-carbobenzoxy-5-methyl-2-nitro-anilino)-3-mercapto-propionic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])N(C(CS)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])N(C(CS)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6S/c1-12-7-8-14(20(24)25)15(9-12)19(16(11-27)17(21)22)18(23)26-10-13-5-3-2-4-6-13/h2-9,16,27H,10-11H2,1H3,(H,21,22)