2-(4-fluorophenyl)-4-[(2-methyl-4-thiocyanato-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-[(2-methyl-4-thiocyanato-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-fluorophenyl)-4-(2-methyl-4-thiocyanato-anilino)-4-oxo-butanoic acid CAS Name: 2-(4-fluorophenyl)-4-(2-methyl-4-thiocyanatoanilino)-4-oxobutanoic acid IUPAC Name: 2-(4-fluorophenyl)-4-(2-methyl-4-thiocyanatoanilino)-4-oxobutanoic acid Traditional Name: 2-(4-fluorophenyl)-4-keto-4-(2-methyl-4-thiocyanato-anilino)butyric acid Formula: C18H15FN2O3S MolecularWeight: 358.386703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC(C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CC(C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C18H15FN2O3S/c1-11-8-14(25-10-20)6-7-16(11)21-17(22)9-15(18(23)24)12-2-4-13(19)5-3-12/h2-8,15H,9H2,1H3,(H,21,22)(H,23,24)