methyl 4-methyl-3-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

InChI

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