ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamate

Systemtic Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamate Openeye Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamate CAS Name: N-[4-(1-azepanyl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamate Traditional Name: N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-(2-nitrophenyl)carbamic acid ethyl ester Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1N(OC(N1N2CCCCCC2)C3=CC=CS3)C)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N(C1N(OC(N1N2CCCCCC2)C3=CC=CS3)C)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-3-31-22(28)25(17-11-6-7-12-18(17)27(29)30)21-23(2)32-20(19-13-10-16-33-19)26(21)24-14-8-4-5-9-15-24/h6-7,10-13,16,20-21H,3-5,8-9,14-15H2,1-2H3