(2S)-2-[(4-acetamidophenyl)-(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)ethanamide

Systemtic Name: (2S)-2-[(4-acetamidophenyl)-(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)ethanamide Openeye Name: (2S)-2-(4-acetamido-N-[2-(2-thienyl)acetyl]anilino)-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide CAS Name: (2S)-2-(4-acetamido-N-(1-oxo-2-thiophen-2-ylethyl)anilino)-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide IUPAC Name: (2S)-2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide Traditional Name: (2S)-2-(4-acetamido-N-[2-(2-thienyl)acetyl]anilino)-N-cyclohexyl-2-p-phenetyl-acetamide Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)NC(=O)C)C(=O)CC4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)NC(=O)C)C(=O)CC4=CC=CS4

InChI

InChI=1S/C30H35N3O4S/c1-3-37-26-17-11-22(12-18-26)29(30(36)32-23-8-5-4-6-9-23)33(28(35)20-27-10-7-19-38-27)25-15-13-24(14-16-25)31-21(2)34/h7,10-19,23,29H,3-6,8-9,20H2,1-2H3,(H,31,34)(H,32,36)/t29-/m0/s1