ethyl 3-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-4-26-18(23)13-8-12(9-14(10-13)21(24)25)17(22)19-11-15(20(2)3)16-6-5-7-27-16/h5-10,15H,4,11H2,1-3H3,(H,19,22)