ethyl 4-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(3-methylthiazol-3-ium-2-yl)carbamoylamino]benzoate CAS Name: 4-[[[(3-methyl-2-thiazol-3-iumyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoylamino]benzoate Traditional Name: 4-[(3-methylthiazol-3-ium-2-yl)carbamoylamino]benzoic acid ethyl ester Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=[N+](C=CS2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=[N+](C=CS2)C

InChI

InChI=1S/C14H15N3O3S/c1-3-20-12(18)10-4-6-11(7-5-10)15-13(19)16-14-17(2)8-9-21-14/h4-9H,3H2,1-2H3,(H,15,18,19)/p+1