2-[[3,3-dibutyl-7-methyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3,3-dibutyl-7-methyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]ethanoic acid Openeye Name: 2-[(3,3-dibutyl-7-methyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetic acid CAS Name: 2-[(3,3-dibutyl-7-methyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetic acid IUPAC Name: 2-[(3,3-dibutyl-7-methyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetic acid Traditional Name: 2-[(3,3-dibutyl-1,1-diketo-7-methyl-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetic acid Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=C(C=C(C(=C2)C)OCC(=O)O)S(=O)(=O)N1)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCC1(CN(C2=C(C=C(C(=C2)C)OCC(=O)O)S(=O)(=O)N1)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C25H34N2O5S/c1-4-6-13-25(14-7-5-2)18-27(20-11-9-8-10-12-20)21-15-19(3)22(32-17-24(28)29)16-23(21)33(30,31)26-25/h8-12,15-16,26H,4-7,13-14,17-18H2,1-3H3,(H,28,29)