2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Openeye Name: 2-[[4-(3,4-dimethylphenyl)thiazol-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[4-(3,4-dimethylphenyl)-2-thiazolyl]methylthio]benzoate IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[4-(3,4-dimethylphenyl)thiazol-2-yl]methylthio]benzoate Formula: C19H16NO2S2- MolecularWeight: 354.46584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)[O-])C

InChI

InChI=1S/C19H17NO2S2/c1-12-7-8-14(9-13(12)2)16-10-24-18(20-16)11-23-17-6-4-3-5-15(17)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)/p-1