[4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(2-furylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-2-thiazolyl]-3-pyrazolyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(2-furfuryl)ammonium Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CC4=CC=CO4

InChI

InChI=1S/C22H22N4O4S/c1-3-29-21(27)18-12-24-26(20(18)13-23-11-17-5-4-10-30-17)22-25-19(14-31-22)15-6-8-16(28-2)9-7-15/h4-10,12,14,23H,3,11,13H2,1-2H3/p+1