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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c21-14(18-8-12-4-2-1-3-5-12)9-23-15(22)10-25-17-13-6-7-24-16(13)19-11-20-17/h1-7,11H,8-10H2,(H,18,21)