ethyl 4-cyclopropyl-2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=CS3)C4CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=CS3)C4CC4)C(=O)OCC

InChI

InChI=1S/C21H23N3O4S2/c1-3-27-13-7-8-15-16(9-13)23-21(22-15)30-11-17(25)24-19-18(20(26)28-4-2)14(10-29-19)12-5-6-12/h7-10,12H,3-6,11H2,1-2H3,(H,22,23)(H,24,25)