ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]thiazole-5-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxobutyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-3-12(25-17-19-10-7-5-6-8-11(10)20-17)14(22)21-16-18-9-13(26-16)15(23)24-4-2/h5-9,12H,3-4H2,1-2H3,(H,19,20)(H,18,21,22)