(2S)-2-[2-acetamidoethanoyl(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[2-acetamidoethanoyl(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(2-acetamidoacetyl)-(2-thienylmethyl)amino]-N-(3-ethoxypropyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(2-acetamido-1-oxoethyl)-(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-phenylacetamide Traditional Name: (2S)-2-[(2-acetamidoacetyl)-(2-thenyl)amino]-N-(3-ethoxypropyl)-2-phenyl-acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(C1=CC=CC=C1)N(CC2=CC=CS2)C(=O)CNC(=O)C

Isomeric SMILES

CCOCCCNC(=O)[C@H](C1=CC=CC=C1)N(CC2=CC=CS2)C(=O)CNC(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-3-29-13-8-12-23-22(28)21(18-9-5-4-6-10-18)25(16-19-11-7-14-30-19)20(27)15-24-17(2)26/h4-7,9-11,14,21H,3,8,12-13,15-16H2,1-2H3,(H,23,28)(H,24,26)/t21-/m0/s1