8-chloranyl-2-(naphthalen-1-ylmethyl)-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one

Systemtic Name: 8-chloranyl-2-(naphthalen-1-ylmethyl)-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Openeye Name: 8-chloro-2-(1-naphthylmethyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one CAS Name: 8-chloro-2-(1-naphthalenylmethyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one IUPAC Name: 8-chloro-2-(naphthalen-1-ylmethyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Traditional Name: 8-chloro-10,10-diketo-2-(1-naphthylmethyl)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Formula: C22H15ClN2O3S MolecularWeight: 422.8841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C4C(=C3)S(=O)(=O)C5=C(C=CC(=C5)Cl)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C4C(=C3)S(=O)(=O)C5=C(C=CC(=C5)Cl)NC4=O

InChI

InChI=1S/C22H15ClN2O3S/c23-16-8-9-19-20(10-16)29(27,28)21-13-25(12-18(21)22(26)24-19)11-15-6-3-5-14-4-1-2-7-17(14)15/h1-10,12-13H,11H2,(H,24,26)