2-[[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H17N3O3S2/c1-10-6-7-13-14(8-10)28-17-15(13)16(24)21-20(22-17)27-9-23-18(25)11-4-2-3-5-12(11)19(23)26/h2-5,10H,6-9H2,1H3,(H,21,22,24)/t10-/m0/s1