methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S2/c1-21-15(20)11-9-12(10-5-3-2-4-6-10)24-14(11)18-16(23)17-13-7-8-22-19-13/h2-9H,1H3,(H2,17,18,19,23)