[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)F

InChI

InChI=1S/C20H21FN2O5S/c1-13-4-5-15(14(21)11-13)23-19(26)12-28-20(27)8-9-22-18(25)7-6-16(24)17-3-2-10-29-17/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)(H,23,26)