[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H19FN2O3S/c1-13-4-2-5-16(19(13)23)21(26)27-12-18(25)24-20(17-6-3-11-28-17)14-7-9-15(22)10-8-14/h2-11,20H,12,23H2,1H3,(H,24,25)