ethyl 3-[4-[(4-methyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[(4-methyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(2-keto-4-methyl-4-thiazolin-5-yl)sulfonyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C18H20N4O8S2 MolecularWeight: 484.5034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)S3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)S3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O8S2/c1-3-30-16(24)13-8-12(9-14(10-13)22(26)27)15(23)20-4-6-21(7-5-20)32(28,29)17-11(2)19-18(25)31-17/h8-10H,3-7H2,1-2H3,(H,19,25)