2-[5-[[5-(diethylaminomethyl)thiophen-2-yl]methyl]thiophen-2-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[5-[[5-(diethylaminomethyl)thiophen-2-yl]methyl]thiophen-2-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[5-[[5-(diethylaminomethyl)-2-thienyl]methyl]-2-thienyl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[5-[[5-(diethylaminomethyl)-2-thiophenyl]methyl]-2-thiophenyl]ethyl ester IUPAC Name: 2-[5-[[5-(diethylaminomethyl)thiophen-2-yl]methyl]thiophen-2-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[5-[[5-(diethylaminomethyl)-2-thienyl]methyl]-2-thienyl]ethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(S1)CC2=CC=C(S2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(S1)CC2=CC=C(S2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O4S2/c1-3-24(4-2)16-22-12-11-21(31-22)15-20-10-9-19(30-20)13-14-29-23(26)17-5-7-18(8-6-17)25(27)28/h5-12H,3-4,13-16H2,1-2H3