[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C21H26N2O5S/c1-21(2,3)14-6-8-15(9-7-14)27-11-4-5-18(25)28-13-17(24)23-20-16(19(22)26)10-12-29-20/h6-10,12H,4-5,11,13H2,1-3H3,(H2,22,26)(H,23,24)