azanylazanium; 5-chloranyl-2-methoxycarbonyl-4,7-dimethyl-1-benzothiophene-3-carboxylate

Systemtic Name: azanylazanium; 5-chloranyl-2-methoxycarbonyl-4,7-dimethyl-1-benzothiophene-3-carboxylate Openeye Name: aminoammonium; 5-chloro-2-methoxycarbonyl-4,7-dimethyl-benzothiophene-3-carboxylate CAS Name: aminoammonium; 5-chloro-2-methoxycarbonyl-4,7-dimethyl-1-benzothiophene-3-carboxylate IUPAC Name: aminoazanium; 5-chloro-2-methoxycarbonyl-4,7-dimethyl-1-benzothiophene-3-carboxylate Traditional Name: aminoammonium; 2-carbomethoxy-5-chloro-4,7-dimethyl-benzothiophene-3-carboxylate Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1SC(=C2C(=O)[O-])C(=O)OC)C)Cl.[NH3+]N

Isomeric SMILES

CC1=CC(=C(C2=C1SC(=C2C(=O)[O-])C(=O)OC)C)Cl.[NH3+]N

InChI

InChI=1S/C13H11ClO4S.H4N2/c1-5-4-7(14)6(2)8-9(12(15)16)11(13(17)18-3)19-10(5)8;1-2/h4H,1-3H3,(H,15,16);1-2H2