butyl (3Z)-6-methyl-3-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-2,4-bis(oxidanylidene)hept-5-enoate

Systemtic Name: butyl (3Z)-6-methyl-3-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-2,4-bis(oxidanylidene)hept-5-enoate Openeye Name: butyl (3Z)-6-methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]-2,4-dioxo-hept-5-enoate CAS Name: (3Z)-6-methyl-3-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-2,4-dioxo-5-heptenoic acid butyl ester IUPAC Name: butyl (3Z)-6-methyl-3-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-2,4-dioxohept-5-enoate Traditional Name: (3Z)-2,4-diketo-6-methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]hept-5-enoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C(=CN1C2=C(C=C(C=C2)C)NC1=S)C(=O)C=C(C)C

Isomeric SMILES

CCCCOC(=O)C(=O)/C(=C\N1C2=C(C=C(C=C2)C)NC1=S)/C(=O)C=C(C)C

InChI

InChI=1S/C21H24N2O4S/c1-5-6-9-27-20(26)19(25)15(18(24)10-13(2)3)12-23-17-8-7-14(4)11-16(17)22-21(23)28/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,28)/b15-12-