[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-pyrimidin-2-ylthiazol-4-yl)acetate CAS Name: 2-[2-(2-pyrimidinyl)-4-thiazolyl]acetic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(2-pyrimidyl)thiazol-4-yl]acetic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CC3=CSC(=N3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CC3=CSC(=N3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N5O4S/c1-30-18-5-3-17(4-6-18)26-9-11-27(12-10-26)19(28)14-31-20(29)13-16-15-32-22(25-16)21-23-7-2-8-24-21/h2-8,15H,9-14H2,1H3