(3R,6'S)-6'-methylspiro[2H-benzo[f][1]benzothiole-3,3'-piperazine]-2',4,5',9-tetrone

Systemtic Name: (3R,6'S)-6'-methylspiro[2H-benzo[f][1]benzothiole-3,3'-piperazine]-2',4,5',9-tetrone Openeye Name: (3R,6'S)-6'-methylspiro[2H-benzo[f]benzothiophene-3,3'-piperazine]-2',4,5',9-tetrone CAS Name: (3R,6'S)-6'-methylspiro[2H-benzo[f][1]benzothiole-3,3'-piperazine]-2',4,5',9-tetrone IUPAC Name: (3R,6'S)-6'-methylspiro[2H-benzo[f][1]benzothiole-3,3'-piperazine]-2',4,5',9-tetrone Traditional Name: (3R,6'S)-6'-methylspiro[2H-benzo[f]benzothiophene-3,3'-piperazine]-2',4,5',9-diquinone Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2(CSC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)N1

Isomeric SMILES

C[C@H]1C(=O)N[C@@]2(CSC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)N1

InChI

InChI=1S/C16H12N2O4S/c1-7-14(21)18-16(15(22)17-7)6-23-13-10(16)11(19)8-4-2-3-5-9(8)12(13)20/h2-5,7H,6H2,1H3,(H,17,22)(H,18,21)/t7-,16+/m0/s1