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

Systemtic Name: ethyl 3-[[(4-fluorophenyl)-thiophen-2-yl-methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(4-fluorophenyl)-(2-thienyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-fluorophenyl)-(2-thienyl)methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H17FN2O5S MolecularWeight: 428.433483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O5S/c1-2-29-21(26)15-10-14(11-17(12-15)24(27)28)20(25)23-19(18-4-3-9-30-18)13-5-7-16(22)8-6-13/h3-12,19H,2H2,1H3,(H,23,25)