[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-ureido-propionic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17ClFN3O4S MolecularWeight: 413.850983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CC(C2=CC=CS2)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CC(C2=CC=CS2)NC(=O)N

InChI

InChI=1S/C17H17ClFN3O4S/c1-9(16(24)21-10-4-5-12(19)11(18)7-10)26-15(23)8-13(22-17(20)25)14-3-2-6-27-14/h2-7,9,13H,8H2,1H3,(H,21,24)(H3,20,22,25)