methyl 2-[[(E)-but-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[(E)-but-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[(E)-but-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[(E)-1-oxobut-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-but-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-[[(E)-but-2-enoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

C/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-3-6-11(16)15-13(19)14-10-8-5-4-7-9(10)12(17)18-2/h3-8H,1-2H3,(H2,14,15,16,19)/b6-3+