ethyl 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-3-20-11-5-6-12-13(8-11)17-15(16-12)22-9-10(18)7-14(19)21-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)