1,3-benzothiazol-2-ylmethyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-carbethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-3-26-20(25)14-8-10-15(11-9-14)21-18(24)12-23(2)13-19-22-16-6-4-5-7-17(16)27-19/h4-11H,3,12-13H2,1-2H3,(H,21,24)/p+1