N-(2-azanylethyl)-1-ethanoyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[m-anisyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC(=CC=C2)OC)C(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC(=CC=C2)OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N4O4S/c1-15(27)25-14-17(12-19(25)21(28)24-9-8-23)26(22(29)20-7-4-10-31-20)13-16-5-3-6-18(11-16)30-2/h3-7,10-11,17,19H,8-9,12-14,23H2,1-2H3,(H,24,28)