methyl 5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NOC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S2/c1-10-13(11-6-4-3-5-7-11)14(16(21)22-2)15(25-10)19-17(24)18-12-8-9-23-20-12/h3-9H,1-2H3,(H2,18,19,20,24)