4-[(Z)-N-acetyloxy-C-(phenylmethyl)carbonimidoyl]sulfanylbutyl ethanoate

Systemtic Name: 4-[(Z)-N-acetyloxy-C-(phenylmethyl)carbonimidoyl]sulfanylbutyl ethanoate Openeye Name: 4-[(Z)-N-acetoxy-C-benzyl-carbonimidoyl]sulfanylbutyl acetate CAS Name: acetic acid 4-[[(1Z)-1-acetyloxyimino-2-phenylethyl]thio]butyl ester IUPAC Name: 4-[(Z)-N-acetyloxy-C-benzylcarbonimidoyl]sulfanylbutyl acetate Traditional Name: acetic acid 4-[[(Z)-N-acetoxy-C-benzyl-carbonimidoyl]thio]butyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCSC(=NOC(=O)C)CC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCCCCS/C(=N\OC(=O)C)/CC1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S/c1-13(18)20-10-6-7-11-22-16(17-21-14(2)19)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3/b17-16-