[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H14ClFN2O4S MolecularWeight: 384.809763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)CCNC(=O)C2=CSC=C2)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)CCNC(=O)C2=CSC=C2)Cl)F

InChI

InChI=1S/C16H14ClFN2O4S/c17-12-7-11(1-2-13(12)18)20-14(21)8-24-15(22)3-5-19-16(23)10-4-6-25-9-10/h1-2,4,6-7,9H,3,5,8H2,(H,19,23)(H,20,21)