(E)-3-[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-5-methyl-imidazol-4-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-5-methyl-imidazol-4-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-5-methyl-imidazol-4-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-[[10-(methoxymethyl)-8-pyrazino[2,3-b][1,4]benzothiazinyl]methyl]-5-methyl-4-imidazolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-5-methylimidazol-4-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-5-methyl-imidazol-4-yl]-2-methyl-acrylic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC2=CC3=C(C=C2)SC4=NC=CN=C4N3COC)C=C(C)C(=O)O

Isomeric SMILES

CC1=C(N=CN1CC2=CC3=C(C=C2)SC4=NC=CN=C4N3COC)/C=C(\C)/C(=O)O

InChI

InChI=1S/C21H21N5O3S/c1-13(21(27)28)8-16-14(2)25(11-24-16)10-15-4-5-18-17(9-15)26(12-29-3)19-20(30-18)23-7-6-22-19/h4-9,11H,10,12H2,1-3H3,(H,27,28)/b13-8+