1,3-benzothiazol-2-ylmethyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O3S2/c1-5-26-20(25)18-12(2)13(3)27-19(18)22-16(24)10-23(4)11-17-21-14-8-6-7-9-15(14)28-17/h6-9H,5,10-11H2,1-4H3,(H,22,24)/p+1