2-azanyl-3-[5-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[5-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]propanoic acid hydrochloride Openeye Name: 2-amino-3-(5-chloro-1,1-dioxo-benzothiophen-3-yl)propanoic acid hydrochloride CAS Name: 2-amino-3-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)propanoic acid hydrochloride IUPAC Name: 2-amino-3-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)propanoic acid hydrochloride Traditional Name: 2-amino-3-(5-chloro-1,1-diketo-benzothiophen-3-yl)propionic acid hydrochloride Formula: C11H11Cl2NO4S MolecularWeight: 324.18034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2(=O)=O)CC(C(=O)O)N.Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2(=O)=O)CC(C(=O)O)N.Cl

InChI

InChI=1S/C11H10ClNO4S.ClH/c12-7-1-2-10-8(4-7)6(5-18(10,16)17)3-9(13)11(14)15;/h1-2,4-5,9H,3,13H2,(H,14,15);1H