ethyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(5-methylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NOC(=C3)C

InChI

InChI=1S/C19H19N3O3S2/c1-3-24-18(23)15-11-14(10-13-7-5-4-6-8-13)27-17(15)21-19(26)20-16-9-12(2)25-22-16/h4-9,11H,3,10H2,1-2H3,(H2,20,21,22,26)