[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-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-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H17N3O3S2/c1-12-8-13-4-2-3-5-15(13)22(12)16(23)9-25-17(24)10-27-19-14-6-7-26-18(14)20-11-21-19/h2-7,11-12H,8-10H2,1H3/t12-/m0/s1