[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-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-(m-anisylamino)ethyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H17N3O4S2/c1-24-13-4-2-3-12(7-13)8-19-15(22)9-25-16(23)10-27-18-14-5-6-26-17(14)20-11-21-18/h2-7,11H,8-10H2,1H3,(H,19,22)