[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C3=CSC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C3=CSC(=N3)C)C

InChI

InChI=1S/C21H20N2O3S/c1-13-7-14(2)9-17(8-13)21(25)26-11-20(24)23-18-6-4-5-16(10-18)19-12-27-15(3)22-19/h4-10,12H,11H2,1-3H3,(H,23,24)