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

Systemtic Name: methyl 4-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofuranyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-[[(4-methylthiazol-2-yl)thio]methyl]benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N2O4S2/c1-13-11-29-22(23-13)30-12-17-16-5-3-4-6-18(16)28-19(17)20(25)24-15-9-7-14(8-10-15)21(26)27-2/h3-11H,12H2,1-2H3,(H,24,25)