2-[3-(4-chlorophenyl)-10,10-bis(oxidanylidene)-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]ethanoate

Systemtic Name: 2-[3-(4-chlorophenyl)-10,10-bis(oxidanylidene)-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]ethanoate Openeye Name: 2-[3-(4-chlorophenyl)-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetate IUPAC Name: 2-[3-(4-chlorophenyl)-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-10,10-diketo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetate Formula: C19H14ClN2O4S- MolecularWeight: 401.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(C3=C(C=CN3S2(=O)=O)C4=CC=C(C=C4)Cl)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(C3=C(C=CN3S2(=O)=O)C4=CC=C(C=C4)Cl)CC(=O)[O-]

InChI

InChI=1S/C19H15ClN2O4S/c20-13-7-5-12(6-8-13)14-9-10-22-19(14)16(11-18(23)24)21-15-3-1-2-4-17(15)27(22,25)26/h1-10,16,21H,11H2,(H,23,24)/p-1