phenethyl 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: phenethyl 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: phenethyl 2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid phenethyl ester IUPAC Name: phenethyl 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid phenethyl ester Formula: C29H24N2O3S2 MolecularWeight: 512.64246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O3S2/c1-20-25(22-13-7-3-8-14-22)26-27(36-20)30-29(31(28(26)33)23-15-9-4-10-16-23)35-19-24(32)34-18-17-21-11-5-2-6-12-21/h2-16H,17-19H2,1H3