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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-10,10-bis(oxidanylidene)-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)methyl]-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetic acid IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetic acid Traditional Name: 2-[3-(4-chlorobenzyl)-10,10-diketo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl]acetic acid Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(C3=C(C=CN3S2(=O)=O)CC4=CC=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(C3=C(C=CN3S2(=O)=O)CC4=CC=C(C=C4)Cl)CC(=O)O

InChI

InChI=1S/C20H17ClN2O4S/c21-15-7-5-13(6-8-15)11-14-9-10-23-20(14)17(12-19(24)25)22-16-3-1-2-4-18(16)28(23,26)27/h1-10,17,22H,11-12H2,(H,24,25)