2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-hydroxy-propionic acid Formula: C12H9Cl2NO4S MolecularWeight: 334.17516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H9Cl2NO4S/c13-5-1-2-6-8(3-5)20-10(9(6)14)11(17)15-7(4-16)12(18)19/h1-3,7,16H,4H2,(H,15,17)(H,18,19)