(3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-thiophen-2-yl-propanamide

Systemtic Name: (3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-thiophen-2-yl-propanamide Openeye Name: (3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-(2-thienyl)propanamide CAS Name: (3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-thiophen-2-ylpropanamide IUPAC Name: (3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-thiophen-2-ylpropanamide Traditional Name: (3S)-3-acetamido-N-(1-adamantyl)-N-ethyl-3-(2-thienyl)propionamide Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CC(C1=CC=CS1)NC(=O)C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(C(=O)C[C@@H](C1=CC=CS1)NC(=O)C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2S/c1-3-23(21-11-15-7-16(12-21)9-17(8-15)13-21)20(25)10-18(22-14(2)24)19-5-4-6-26-19/h4-6,15-18H,3,7-13H2,1-2H3,(H,22,24)/t15?,16?,17?,18-,21?/m0/s1