methyl 4-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O3S/c1-17-8-7-15-14(17)21-9-12(18)16-11-5-3-10(4-6-11)13(19)20-2/h3-8H,9H2,1-2H3,(H,16,18,19)/p+1