[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H19N3O4S2/c1-13-3-2-4-14(9-13)25-7-6-20-16(23)10-26-17(24)11-28-19-15-5-8-27-18(15)21-12-22-19/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,23)