methyl 3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=C(C2=CC=CC=C2)NO)N=O

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)N/C(=C(/C2=CC=CC=C2)\NO)/N=O

InChI

InChI=1S/C16H17N3O4S/c1-23-14(20)10-12(13-8-5-9-24-13)17-16(19-22)15(18-21)11-6-3-2-4-7-11/h2-9,12,17-18,21H,10H2,1H3/b16-15+