8-chloranyl-2-(3-methylbut-2-enyl)-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione

Systemtic Name: 8-chloranyl-2-(3-methylbut-2-enyl)-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione Openeye Name: 8-chloro-2-(3-methylbut-2-enyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione CAS Name: 8-chloro-2-(3-methylbut-2-enyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione IUPAC Name: 8-chloro-2-(3-methylbut-2-enyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione Traditional Name: 8-chloro-10,10-diketo-2-(3-methylbut-2-enyl)-5H-pyrrolo[3,4-b][1,5]benzothiazepine-4-thione Formula: C16H15ClN2O2S2 MolecularWeight: 366.8855

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C=C2C(=C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)NC2=S)C

Isomeric SMILES

CC(=CCN1C=C2C(=C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)NC2=S)C

InChI

InChI=1S/C16H15ClN2O2S2/c1-10(2)5-6-19-8-12-15(9-19)23(20,21)14-7-11(17)3-4-13(14)18-16(12)22/h3-5,7-9H,6H2,1-2H3,(H,18,22)