8-chloranyl-5-methyl-2-(3-methylbut-2-enyl)-10,10-bis(oxidanylidene)pyrrolo[3,4-b][1,5]benzothiazepin-4-one

Systemtic Name: 8-chloranyl-5-methyl-2-(3-methylbut-2-enyl)-10,10-bis(oxidanylidene)pyrrolo[3,4-b][1,5]benzothiazepin-4-one Openeye Name: 8-chloro-5-methyl-2-(3-methylbut-2-enyl)-10,10-dioxo-pyrrolo[3,4-b][1,5]benzothiazepin-4-one CAS Name: 8-chloro-5-methyl-2-(3-methylbut-2-enyl)-10,10-dioxo-4-pyrrolo[3,4-b][1,5]benzothiazepinone IUPAC Name: 8-chloro-5-methyl-2-(3-methylbut-2-enyl)-10,10-dioxopyrrolo[3,4-b][1,5]benzothiazepin-4-one Traditional Name: 8-chloro-10,10-diketo-5-methyl-2-(3-methylbut-2-enyl)pyrrolo[3,4-b][1,5]benzothiazepin-4-one Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C=C2C(=C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)N(C2=O)C)C

Isomeric SMILES

CC(=CCN1C=C2C(=C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)N(C2=O)C)C

InChI

InChI=1S/C17H17ClN2O3S/c1-11(2)6-7-20-9-13-16(10-20)24(22,23)15-8-12(18)4-5-14(15)19(3)17(13)21/h4-6,8-10H,7H2,1-3H3