ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-3-31-21(26)15-32-20-9-8-16(14-18(20)25(28)29)22(27)24-12-10-23(11-13-24)17-6-4-5-7-19(17)30-2/h4-9,14H,3,10-13,15H2,1-2H3