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

Systemtic Name: propan-2-yl 4-[[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C(=O)OC(C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C(=O)OC(C)C)CC=C

InChI

InChI=1S/C27H26N2O3S2/c1-5-14-29-25(30)23-22(20-10-6-18(4)7-11-20)16-33-24(23)28-27(29)34-15-19-8-12-21(13-9-19)26(31)32-17(2)3/h5-13,16-17H,1,14-15H2,2-4H3