methyl 3-azanyl-4-(2-azanylidene-1,3-thiazolidin-3-yl)benzoate dihydrochloride

Systemtic Name: methyl 3-azanyl-4-(2-azanylidene-1,3-thiazolidin-3-yl)benzoate dihydrochloride Openeye Name: methyl 3-amino-4-(2-iminothiazolidin-3-yl)benzoate dihydrochloride CAS Name: 3-amino-4-(2-imino-3-thiazolidinyl)benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-amino-4-(2-imino-1,3-thiazolidin-3-yl)benzoate dihydrochloride Traditional Name: 3-amino-4-(2-iminothiazolidin-3-yl)benzoic acid methyl ester dihydrochloride Formula: C11H15Cl2N3O2S MolecularWeight: 324.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCSC2=N)N.Cl.Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCSC2=N)N.Cl.Cl

InChI

InChI=1S/C11H13N3O2S.2ClH/c1-16-10(15)7-2-3-9(8(12)6-7)14-4-5-17-11(14)13;;/h2-3,6,13H,4-5,12H2,1H3;2*1H