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

Systemtic Name: propyl 3-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: propyl 3-[[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 3-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid propyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S2/c1-4-13-29-25(30)23-22(20-11-9-18(3)10-12-20)17-33-24(23)28-27(29)34-16-19-7-6-8-21(15-19)26(31)32-14-5-2/h4,6-12,15,17H,1,5,13-14,16H2,2-3H3