[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-3-12-5-7-15(23-12)14(18)9-22-16(19)11-4-6-13(17(20)21)10(2)8-11/h4-8H,3,9H2,1-2H3