1,3-benzothiazol-2-ylmethyl-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(ethoxycarbonylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(carbethoxyamino)-2-keto-ethyl]-methyl-ammonium Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H17N3O3S/c1-3-20-14(19)16-12(18)8-17(2)9-13-15-10-6-4-5-7-11(10)21-13/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)/p+1