ethyl 1-ethyl-2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C19H22N4O4S/c1-5-23-15-8-7-13(18(25)26-6-2)10-14(15)20-19(23)28-12(4)17(24)21-16-9-11(3)27-22-16/h7-10,12H,5-6H2,1-4H3,(H,21,22,24)/t12-/m1/s1