(3S,4S)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-1-oxo-3-(2-thienyl)isochromane-4-carboxylic acid CAS Name: (3S,4S)-1-oxo-3-thiophen-2-yl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-1-oxo-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-3-(2-thienyl)isochroman-4-carboxylic acid Formula: C14H10O4S MolecularWeight: 274.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(OC2=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H10O4S/c15-13(16)11-8-4-1-2-5-9(8)14(17)18-12(11)10-6-3-7-19-10/h1-7,11-12H,(H,15,16)/t11-,12+/m0/s1