6-azanyl-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid

Systemtic Name: 6-azanyl-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid Openeye Name: 6-amino-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid CAS Name: 6-amino-2-[(4-but-2-ynoxyphenyl)thio]hexanoic acid IUPAC Name: 6-amino-2-(4-but-2-ynoxyphenyl)sulfanylhexanoic acid Traditional Name: 6-amino-2-[(4-but-2-ynoxyphenyl)thio]hexanoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCN)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCN)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-2-3-12-20-13-7-9-14(10-8-13)21-15(16(18)19)6-4-5-11-17/h7-10,15H,4-6,11-12,17H2,1H3,(H,18,19)