[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetate CAS Name: 2-(2-phenyl-4-thiophen-2-yl-5-thiazolyl)acetic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate Traditional Name: 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CS3

InChI

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