[1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H17N3O4S2/c1-11(23)13-4-3-5-14(8-13)22-17(25)12(2)26-16(24)9-28-19-15-6-7-27-18(15)20-10-21-19/h3-8,10,12H,9H2,1-2H3,(H,22,25)