5,5-bis(oxidanylidene)-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-one

Systemtic Name: 5,5-bis(oxidanylidene)-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-one Openeye Name: 5,5-dioxo-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-one CAS Name: 5,5-dioxo-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinone IUPAC Name: 5,5-dioxo-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-one Traditional Name: 5,5-diketo-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-one Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)C3=CC=CN3C4=CC=CC=C4S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)C3=CC=CN3C4=CC=CC=C4S2(=O)=O

InChI

InChI=1S/C18H13NO3S/c20-17-15-10-6-12-19(15)14-9-4-5-11-16(14)23(21,22)18(17)13-7-2-1-3-8-13/h1-12,18H