1-ethoxy-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 1-ethoxy-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-but-1-en-1-olate Openeye Name: 1-ethoxy-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methylthiazol-2-yl)-3-oxo-but-1-en-1-olate CAS Name: 1-ethoxy-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(4-methyl-2-thiazolyl)-3-oxo-1-buten-1-olate IUPAC Name: 1-ethoxy-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobut-1-en-1-olate Traditional Name: 1-ethoxy-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(4-methylthiazol-2-yl)but-1-en-1-olate Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=NC(=CS1)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)[O-]

Isomeric SMILES

CCOC(=C(C1=NC(=CS1)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-4-28-21(26)19(20-22-15(2)14-29-20)18(25)13-23-8-10-24(11-9-23)16-6-5-7-17(12-16)27-3/h5-7,12,14,26H,4,8-11,13H2,1-3H3