[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O5S/c1-2-18(9-13-6-7-14(17)25-13)15(20)10-24-16(21)11-4-3-5-12(8-11)19(22)23/h3-8H,2,9-10H2,1H3