ethyl 2-[[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(2R)-2-(1H-benzimidazol-2-ylthio)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(2R)-2-(1H-benzimidazol-2-ylthio)butanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[C@H](C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H20N4O3S2/c1-4-13(26-18-20-11-8-6-7-9-12(11)21-18)15(23)22-17-19-10(3)14(27-17)16(24)25-5-2/h6-9,13H,4-5H2,1-3H3,(H,20,21)(H,19,22,23)/t13-/m1/s1