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

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H16FN3O3S2 MolecularWeight: 405.466343

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H16FN3O3S2/c1-22(8-12-3-2-4-13(19)7-12)15(23)9-25-16(24)10-27-18-14-5-6-26-17(14)20-11-21-18/h2-7,11H,8-10H2,1H3