3-chloranyl-5,5-bis(oxidanylidene)-6-[(E)-3-phenylprop-2-enyl]pyrrolo[2,1-d][1,2,5]benzothiadiazepin-7-one

Systemtic Name: 3-chloranyl-5,5-bis(oxidanylidene)-6-[(E)-3-phenylprop-2-enyl]pyrrolo[2,1-d][1,2,5]benzothiadiazepin-7-one Openeye Name: 3-chloro-6-[(E)-cinnamyl]-5,5-dioxo-pyrrolo[2,1-d][1,2,5]benzothiadiazepin-7-one CAS Name: 3-chloro-5,5-dioxo-6-[(E)-3-phenylprop-2-enyl]-7-pyrrolo[2,1-d][1,2,5]benzothiadiazepinone IUPAC Name: 3-chloro-5,5-dioxo-6-[(E)-3-phenylprop-2-enyl]pyrrolo[2,1-d][1,2,5]benzothiadiazepin-7-one Traditional Name: 3-chloro-6-[(E)-cinnamyl]-5,5-diketo-pyrrolo[2,1-d][1,2,5]benzothiadiazepin-7-one Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C(=O)C3=CC=CN3C4=C(S2(=O)=O)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C(=O)C3=CC=CN3C4=C(S2(=O)=O)C=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN2O3S/c21-16-10-11-17-19(14-16)27(25,26)23(20(24)18-9-5-12-22(17)18)13-4-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-4+