[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4-thiophen-2-ylbutanoate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H22N2O3S2/c1-15-6-2-3-9-18(15)23-19(24)12-20-22-16(14-28-20)13-26-21(25)10-4-7-17-8-5-11-27-17/h2-3,5-6,8-9,11,14H,4,7,10,12-13H2,1H3,(H,23,24)