2-[ethanoylsulfanyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-[ethanoylsulfanyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxidanylidene-hexanoic acid Openeye Name: 2-[acetylsulfanyl(tetralin-1-yl)amino]-3-oxo-hexanoic acid CAS Name: 2-[(acetylthio)-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxohexanoic acid IUPAC Name: 2-[acetylsulfanyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxohexanoic acid Traditional Name: 2-[(acetylthio)-tetralin-1-yl-amino]-3-keto-hexanoic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)O)N(C1CCCC2=CC=CC=C12)SC(=O)C

Isomeric SMILES

CCCC(=O)C(C(=O)O)N(C1CCCC2=CC=CC=C12)SC(=O)C

InChI

InChI=1S/C18H23NO4S/c1-3-7-16(21)17(18(22)23)19(24-12(2)20)15-11-6-9-13-8-4-5-10-14(13)15/h4-5,8,10,15,17H,3,6-7,9,11H2,1-2H3,(H,22,23)