(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C21H13ClO4S MolecularWeight: 396.84352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H13ClO4S/c22-18-15-4-1-2-7-17(15)27-19(18)21(24)25-11-8-9-13-12-5-3-6-14(12)20(23)26-16(13)10-11/h1-2,4,7-10H,3,5-6H2