(phenylmethyl) 2-(3-benzamido-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-benzamido-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(3-benzamido-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3-benzamido-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-benzamido-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzamido-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC=CC=C4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC=CC=C4)SC=C3

InChI

InChI=1S/C22H17N3O4S2/c26-18(29-13-15-7-3-1-4-8-15)14-31-22-23-17-11-12-30-19(17)21(28)25(22)24-20(27)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,24,27)