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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H16O4S MolecularWeight: 328.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C18H16O4S/c1-12-2-4-15-14(9-18(20)22-16(15)8-12)10-21-17(19)5-3-13-6-7-23-11-13/h2,4,6-9,11H,3,5,10H2,1H3