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

Systemtic Name: ethyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-methylisoxazol-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-3-23-17(22)13-10-14(12-7-5-4-6-8-12)26-16(13)20-18(25)19-15-9-11(2)24-21-15/h4-10H,3H2,1-2H3,(H2,19,20,21,25)