2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxidanylidene-3-prop-2-enyl-chromene-6-carboxylic acid

Systemtic Name: 2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxidanylidene-3-prop-2-enyl-chromene-6-carboxylic acid Openeye Name: 3-allyl-2-[2-(5-methyl-2-thienyl)cyclopropyl]-4-oxo-chromene-6-carboxylic acid CAS Name: 2-[2-(5-methyl-2-thiophenyl)cyclopropyl]-4-oxo-3-prop-2-enyl-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxo-3-prop-2-enylchromene-6-carboxylic acid Traditional Name: 3-allyl-4-keto-2-[2-(5-methyl-2-thienyl)cyclopropyl]chromene-6-carboxylic acid Formula: C21H18O4S MolecularWeight: 366.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CC2C3=C(C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CC=C

Isomeric SMILES

CC1=CC=C(S1)C2CC2C3=C(C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CC=C

InChI

InChI=1S/C21H18O4S/c1-3-4-13-19(22)16-9-12(21(23)24)6-7-17(16)25-20(13)15-10-14(15)18-8-5-11(2)26-18/h3,5-9,14-15H,1,4,10H2,2H3,(H,23,24)