ethyl 2-acetamido-6-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate hydrate dihydrochloride

Systemtic Name: ethyl 2-acetamido-6-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-1-benzothiophene-3-carboxylate hydrate dihydrochloride Openeye Name: ethyl 2-acetamido-6-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-benzothiophene-3-carboxylate hydrate dihydrochloride CAS Name: 2-acetamido-6-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester hydrate dihydrochloride IUPAC Name: ethyl 2-acetamido-6-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-1-benzothiophene-3-carboxylate hydrate dihydrochloride Traditional Name: 2-acetamido-6-[(4-ethylpiperazino)methyl]-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester hydrate dihydrochloride Formula: C20H31Cl2N3O5S MolecularWeight: 496.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C3=C(C=C2)C(=C(S3)NC(=O)C)C(=O)OCC)O.O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C3=C(C=C2)C(=C(S3)NC(=O)C)C(=O)OCC)O.O.Cl.Cl

InChI

InChI=1S/C20H27N3O4S.2ClH.H2O/c1-4-22-8-10-23(11-9-22)12-14-6-7-15-16(20(26)27-5-2)19(21-13(3)24)28-18(15)17(14)25;;;/h6-7,25H,4-5,8-12H2,1-3H3,(H,21,24);2*1H;1H2