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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 2-[2-(3-thienyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-thiophenyl)-4-thiazolyl]acetic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-thienyl)thiazol-4-yl]acetic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-21(2,3)15-4-6-16(7-5-15)22-18(24)11-26-19(25)10-17-13-28-20(23-17)14-8-9-27-12-14/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)