(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C19H18O4S MolecularWeight: 342.40882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CSC=C3)C

InChI

InChI=1S/C19H18O4S/c1-12-7-16-15(9-19(21)23-17(16)8-13(12)2)10-22-18(20)4-3-14-5-6-24-11-14/h5-9,11H,3-4,10H2,1-2H3