methyl 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-ethyl-2-thienyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-ethyl-2-thiophenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-ethyl-2-thienyl)methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16N2O5S/c1-3-13-4-5-14(24-13)9-17-15(19)10-6-11(16(20)23-2)8-12(7-10)18(21)22/h4-8H,3,9H2,1-2H3,(H,17,19)