[2-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(2-methoxyanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-(2-methoxyanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-keto-2-(o-anisidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-13-9-14(7-8-17(13)24(27)28)21(26)30-11-15-12-31-20(22-15)10-19(25)23-16-5-3-4-6-18(16)29-2/h3-9,12H,10-11H2,1-2H3,(H,23,25)