methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanoate Openeye Name: methyl 4-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate Traditional Name: 4-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C21H18N4O4S2/c1-3-9-25-19(27)12-8-10-30-18(12)24-21(25)31-11-15(26)16(20(28)29-2)17-22-13-6-4-5-7-14(13)23-17/h3-8,10,22-23H,1,9,11H2,2H3