methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-28-18(24)10-14(12-5-3-2-4-6-12)21-17(23)11-29-16-8-7-13(19(20)25)9-15(16)22(26)27/h2-9,14H,10-11H2,1H3,(H2,20,25)(H,21,23)