N-(2-azanylethyl)-1-(2-methoxyethanoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-methoxyethanoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-methoxy-1-oxoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

COCC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C22H29N5O5S/c1-32-15-21(28)26-13-18(11-20(26)22(29)24-9-8-23)25(14-19-3-2-10-33-19)12-16-4-6-17(7-5-16)27(30)31/h2-7,10,18,20H,8-9,11-15,23H2,1H3,(H,24,29)