(2S)-2-acetamido-3-(2-azidoethoxy)-N-[(4-isothiocyanatophenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(2-azidoethoxy)-N-[(4-isothiocyanatophenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(2-azidoethoxy)-N-[(4-isothiocyanatophenyl)methyl]propanamide CAS Name: (2S)-2-acetamido-3-(2-azidoethoxy)-N-[(4-isothiocyanatophenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(2-azidoethoxy)-N-[(4-isothiocyanatophenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-(2-azidoethoxy)-N-(4-isothiocyanatobenzyl)propionamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COCCN=[N+]=[N-])C(=O)NCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O3S/c1-11(22)20-14(9-24-7-6-19-21-16)15(23)17-8-12-2-4-13(5-3-12)18-10-25/h2-5,14H,6-9H2,1H3,(H,17,23)(H,20,22)/t14-/m0/s1