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

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S2/c1-11(17(26)23-14-5-3-13(4-6-14)22-12(2)24)27-16(25)9-29-19-15-7-8-28-18(15)20-10-21-19/h3-8,10-11H,9H2,1-2H3,(H,22,24)(H,23,26)