[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C23H22N4O6S2 MolecularWeight: 514.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H22N4O6S2/c1-15-14-34-23(24-15)35-20-7-6-18(27(30)31)12-19(20)22(29)33-13-21(28)25-16-2-4-17(5-3-16)26-8-10-32-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,25,28)