[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c1-11(22)12-3-2-4-13(7-12)21-15(23)8-25-16(24)9-27-18-14-5-6-26-17(14)19-10-20-18/h2-7,10H,8-9H2,1H3,(H,21,23)