(2S)-2-acetamido-N-[(4-ethynylphenyl)methyl]-3-(2-isothiocyanatoethoxy)propanamide

Systemtic Name: (2S)-2-acetamido-N-[(4-ethynylphenyl)methyl]-3-(2-isothiocyanatoethoxy)propanamide Openeye Name: (2S)-2-acetamido-N-[(4-ethynylphenyl)methyl]-3-(2-isothiocyanatoethoxy)propanamide CAS Name: (2S)-2-acetamido-N-[(4-ethynylphenyl)methyl]-3-(2-isothiocyanatoethoxy)propanamide IUPAC Name: (2S)-2-acetamido-N-[(4-ethynylphenyl)methyl]-3-(2-isothiocyanatoethoxy)propanamide Traditional Name: (2S)-2-acetamido-N-(4-ethynylbenzyl)-3-(2-isothiocyanatoethoxy)propionamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COCCN=C=S)C(=O)NCC1=CC=C(C=C1)C#C

Isomeric SMILES

CC(=O)N[C@@H](COCCN=C=S)C(=O)NCC1=CC=C(C=C1)C#C

InChI

InChI=1S/C17H19N3O3S/c1-3-14-4-6-15(7-5-14)10-19-17(22)16(20-13(2)21)11-23-9-8-18-12-24/h1,4-7,16H,8-11H2,2H3,(H,19,22)(H,20,21)/t16-/m0/s1