4-[[4-[2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[2-(4-ethoxyanilino)thiazol-4-yl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[2-(4-ethoxyanilino)-4-thiazolyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[2-(p-phenetidino)thiazol-4-yl]anilino]butyrate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-28-17-9-7-16(8-10-17)23-21-24-18(13-29-21)14-3-5-15(6-4-14)22-19(25)11-12-20(26)27/h3-10,13H,2,11-12H2,1H3,(H,22,25)(H,23,24)(H,26,27)/p-1