[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(4-methylphenoxy)butanoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)C2=CC=C(S2)CCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)C2=CC=C(S2)CCNC(=O)C

InChI

InChI=1S/C21H25NO5S/c1-15-5-7-17(8-6-15)26-13-3-4-21(25)27-14-19(24)20-10-9-18(28-20)11-12-22-16(2)23/h5-10H,3-4,11-14H2,1-2H3,(H,22,23)