[4-(phenylcarbamoyl)phenyl]methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C22H17N3O3S2/c26-19(13-30-22-18-10-11-29-21(18)23-14-24-22)28-12-15-6-8-16(9-7-15)20(27)25-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,25,27)