methyl 2-[2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]thiazol-4-yl]acetic acid methyl ester Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O3S2/c1-28-18(26)10-15-12-30-20(22-15)25-19(27)14-8-6-13(7-9-14)11-29-21-23-16-4-2-3-5-17(16)24-21/h2-9,12H,10-11H2,1H3,(H,23,24)(H,22,25,27)