(E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid

Systemtic Name: (E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid Openeye Name: (E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid CAS Name: (E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)-2-butenoic acid IUPAC Name: (E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid Traditional Name: (E)-4-(4H-1,2-benzothiazin-8-yl)-2-methyl-3-(5-methyl-1H-imidazol-4-yl)but-2-enoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C(=C(C)C(=O)O)CC2=CC=CC3=C2SN=CC3

Isomeric SMILES

CC1=C(N=CN1)/C(=C(\C)/C(=O)O)/CC2=CC=CC3=C2SN=CC3

InChI

InChI=1S/C17H17N3O2S/c1-10(17(21)22)14(15-11(2)18-9-19-15)8-13-5-3-4-12-6-7-20-23-16(12)13/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)(H,21,22)/b14-10+