ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4S2/c1-5-27-20(26)15-11(2)13(4)30-19(15)23-21(29)22-18(25)16-12(3)28-24-17(16)14-9-7-6-8-10-14/h6-10H,5H2,1-4H3,(H2,22,23,25,29)