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

Systemtic Name: ethyl 2-[4-(4-methylpiperazin-1-yl)carbonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-methylpiperazine-1-carbonyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(4-methylpiperazine-1-carbonyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-3-24-15(20)11-25-14-5-4-12(10-13(14)19(22)23)16(21)18-8-6-17(2)7-9-18/h4-5,10H,3,6-9,11H2,1-2H3