2-acetamido-7-chloranyl-6-methanoyl-4,5-dihydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-acetamido-7-chloranyl-6-methanoyl-4,5-dihydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-acetamido-7-chloro-6-formyl-4,5-dihydrobenzothiophene-3-carboxylic acid CAS Name: 2-acetamido-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-acetamido-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-acetamido-7-chloro-6-formyl-4,5-dihydrobenzothiophene-3-carboxylic acid Formula: C12H10ClNO4S MolecularWeight: 299.7301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)O

InChI

InChI=1S/C12H10ClNO4S/c1-5(16)14-11-8(12(17)18)7-3-2-6(4-15)9(13)10(7)19-11/h4H,2-3H2,1H3,(H,14,16)(H,17,18)