ethyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-3-27-18(24)21-8-6-20(7-9-21)16(23)13-4-5-15(14(10-13)22(25)26)29-17-19-12(2)11-28-17/h4-5,10-11H,3,6-9H2,1-2H3