[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-4-18(21(26)23-20-11-14(3)31-24-20)30-22(27)15-7-10-19(17(12-15)25(28)29)32-16-8-5-13(2)6-9-16/h5-12,18H,4H2,1-3H3,(H,23,24,26)