methyl 6-[4-(4-methylthiophen-2-yl)phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-(4-methylthiophen-2-yl)phenyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-(4-methyl-2-thienyl)phenyl]-6-oxo-hexanoate CAS Name: 6-[4-(4-methyl-2-thiophenyl)phenyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-methylthiophen-2-yl)phenyl]-6-oxohexanoate Traditional Name: 6-keto-6-[4-(4-methyl-2-thienyl)phenyl]hexanoic acid methyl ester Formula: C18H20O3S MolecularWeight: 316.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC=C(C=C2)C(=O)CCCCC(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C2=CC=C(C=C2)C(=O)CCCCC(=O)OC

InChI

InChI=1S/C18H20O3S/c1-13-11-17(22-12-13)15-9-7-14(8-10-15)16(19)5-3-4-6-18(20)21-2/h7-12H,3-6H2,1-2H3