[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H17N3O4S2/c1-12(23)20-8-13-2-4-14(5-3-13)16(24)9-26-17(25)10-28-19-15-6-7-27-18(15)21-11-22-19/h2-7,11H,8-10H2,1H3,(H,20,23)