[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C)CC2=CC=CS2

InChI

InChI=1S/C16H16N2O5S/c1-11-13(6-3-7-14(11)18(21)22)16(20)23-10-15(19)17(2)9-12-5-4-8-24-12/h3-8H,9-10H2,1-2H3