2-[(2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[(2S)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C18H14N2O3S2 MolecularWeight: 370.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CSC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[C@@H](CSC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C18H14N2O3S2/c21-11(10-24-18-19-14-7-3-4-8-15(14)25-18)9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-8,11,21H,9-10H2/t11-/m0/s1