[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-2-3-5-16-7-9-18(10-8-16)24-20(26)14-28-21(27)12-19-15-29-22(25-19)17-6-4-11-23-13-17/h4,6-11,13,15H,2-3,5,12,14H2,1H3,(H,24,26)