ethyl 4-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid ethyl ester Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

InChI

InChI=1S/C26H24N2O3S2/c1-4-14-28-24(29)22-21(19-10-6-17(3)7-11-19)16-32-23(22)27-26(28)33-15-18-8-12-20(13-9-18)25(30)31-5-2/h4,6-13,16H,1,5,14-15H2,2-3H3