2-methyl-5-(naphthalen-2-ylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(naphthalen-2-ylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-methyl-5-(2-naphthylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-methyl-5-[(2-naphthalenylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(naphthalen-2-ylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-methyl-5-[(2-naphthylthio)methyl]-3-furoic acid Formula: C17H14O3S MolecularWeight: 298.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C17H14O3S/c1-11-16(17(18)19)9-14(20-11)10-21-15-7-6-12-4-2-3-5-13(12)8-15/h2-9H,10H2,1H3,(H,18,19)