(2R)-2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-prop-2-ynoxy-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-prop-2-ynoxy-propanamide Openeye Name: (2R)-2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-prop-2-ynoxy-propanamide CAS Name: (2R)-2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-prop-2-ynoxypropanamide IUPAC Name: (2R)-2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-prop-2-ynoxypropanamide Traditional Name: (2R)-2-acetamido-N-(4-isothiocyanatobenzyl)-3-propargyloxy-propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COCC#C)C(=O)NCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-3-8-22-10-15(19-12(2)20)16(21)17-9-13-4-6-14(7-5-13)18-11-23/h1,4-7,15H,8-10H2,2H3,(H,17,21)(H,19,20)/t15-/m1/s1