ethyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)17-11-16(12-18(13-17)25(28)29)21(26)23-14-19(20-5-4-10-31-20)24-8-6-15(2)7-9-24/h4-5,10-13,15,19H,3,6-9,14H2,1-2H3,(H,23,26)