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

Systemtic Name: methyl 3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[[(4-methyl-2-thiazolyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[[(4-methylthiazol-2-yl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O3S2/c1-13-11-26-20(21-13)27-12-14-6-8-15(9-7-14)18(23)22-17-5-3-4-16(10-17)19(24)25-2/h3-11H,12H2,1-2H3,(H,22,23)