ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-methylisoxazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-methylisoxazol-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC(=C2)C

InChI

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