methyl 2-[(2-fluorophenyl)carbothioylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[(2-fluorophenyl)carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[(2-fluorobenzenecarbothioyl)amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[(2-fluorophenyl)-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-fluorobenzenecarbothioyl)amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[(2-fluorothiobenzoyl)amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2=CC=CC=C2F

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2=CC=CC=C2F

InChI

InChI=1S/C17H15FN2O4S/c1-24-17(21)15(10-11-6-8-12(9-7-11)20(22)23)19-16(25)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,25)