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

Systemtic Name: 2-[3-ethyl-10,10-bis(oxidanylidene)-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]ethanoate Openeye Name: 2-(3-ethyl-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate CAS Name: 2-(3-ethyl-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate IUPAC Name: 2-(3-ethyl-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate Traditional Name: 2-(3-ethyl-10,10-diketo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate Formula: C15H15N2O4S- MolecularWeight: 319.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(NC3=CC=CC=C3S(=O)(=O)N2C=C1)CC(=O)[O-]

Isomeric SMILES

CCC1=C2C(NC3=CC=CC=C3S(=O)(=O)N2C=C1)CC(=O)[O-]

InChI

InChI=1S/C15H16N2O4S/c1-2-10-7-8-17-15(10)12(9-14(18)19)16-11-5-3-4-6-13(11)22(17,20)21/h3-8,12,16H,2,9H2,1H3,(H,18,19)/p-1