methyl 3-[(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C22H18N2O4S2/c1-3-10-24-20(25)16-12-17(14-7-5-4-6-8-14)30-19(16)23-22(24)29-13-15-9-11-28-18(15)21(26)27-2/h3-9,11-12H,1,10,13H2,2H3