methyl 3-[[(4-fluorophenyl)-thiophen-2-yl-methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(4-fluorophenyl)-thiophen-2-yl-methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(4-fluorophenyl)-(2-thienyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-fluorophenyl)-(2-thienyl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H15FN2O5S MolecularWeight: 414.406903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H15FN2O5S/c1-28-20(25)14-9-13(10-16(11-14)23(26)27)19(24)22-18(17-3-2-8-29-17)12-4-6-15(21)7-5-12/h2-11,18H,1H3,(H,22,24)