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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-14-12-27-21(23-14)28-13-16-5-7-17(8-6-16)19(24)22-11-15-3-9-18(10-4-15)20(25)26-2/h3-10,12H,11,13H2,1-2H3,(H,22,24)