propan-2-yl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid isopropyl ester Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C25H24N2O3S2/c1-4-29-20-11-9-18(10-12-20)21-14-32-24-22(21)23(26-15-27-24)31-13-17-5-7-19(8-6-17)25(28)30-16(2)3/h5-12,14-16H,4,13H2,1-3H3