methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[[4-[[(4-methyl-2-thiazolyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 4-methyl-3-[[4-[[(4-methylthiazol-2-yl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CS3)C

InChI

InChI=1S/C21H20N2O3S2/c1-13-4-7-17(20(25)26-3)10-18(13)23-19(24)16-8-5-15(6-9-16)12-28-21-22-14(2)11-27-21/h4-11H,12H2,1-3H3,(H,23,24)