[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(5-morpholinosulfonyl-2-thienyl)acetate CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-morpholinosulfonyl-2-thienyl)acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H23N3O9S2 MolecularWeight: 513.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O9S2/c1-13-9-16(23(26)27)17(30-2)11-15(13)21-18(24)12-32-19(25)10-14-3-4-20(33-14)34(28,29)22-5-7-31-8-6-22/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,21,24)