[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-phenylpropanoate

Systemtic Name: [5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-phenylpropanoate Openeye Name: [5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S2/c1-13-7-9-16(28-13)15-12-27-21-19(15)20(25)22-17(23-21)11-26-18(24)10-8-14-5-3-2-4-6-14/h2-7,9,12H,8,10-11H2,1H3,(H,22,23,25)