3-phenylpropyl 2-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 3-phenylpropyl 2-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid 3-phenylpropyl ester Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S2/c1-17(2)19-10-12-20(13-11-19)21-15-32-25-23(21)24(30)27-26(28-25)33-16-22(29)31-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,27,28,30)