5-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-3-sulfanylidene-pentanoic acid

Systemtic Name: 5-[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-3-sulfanylidene-pentanoic acid Openeye Name: 5-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]-3-thioxo-pentanoic acid CAS Name: 5-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]-3-sulfanylidenepentanoic acid IUPAC Name: 5-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxy-3-sulfanylidenepentanoic acid Traditional Name: 5-[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]-3-thioxo-valeric acid Formula: C32H47NO5S MolecularWeight: 557.78428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCC(=S)CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCC(=S)CC(=O)O)O

InChI

InChI=1S/C32H47NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-33-32(37)28-24-29(38-22-20-25(39)23-30(34)35)26-18-15-16-19-27(26)31(28)36/h15-16,18-19,24,36H,2-14,17,20-23H2,1H3,(H,33,37)(H,34,35)