methyl 3-[methyl(1-thiophen-2-ylethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl(1-thiophen-2-ylethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[1-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl(1-thiophen-2-ylethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl(1-thiophen-2-ylethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[1-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC=CS1)N(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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