ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(S3)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(S3)C(C)C)C(=O)OCC

InChI

InChI=1S/C21H25N3O4S2/c1-5-27-13-7-8-15-16(9-13)23-21(22-15)29-11-18(25)24-19-14(20(26)28-6-2)10-17(30-19)12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,23)(H,24,25)