ethyl (2Z)-2-[(4-fluorophenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl (2Z)-2-[(4-fluorophenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl (2Z)-2-[(4-fluorobenzoyl)carbamothioylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: (2Z)-2-[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(4-fluorobenzoyl)carbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: (2Z)-2-[(4-fluorobenzoyl)thiocarbamoylimino]-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C16H16FN3O3S2 MolecularWeight: 381.444943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=S)NC(=O)C2=CC=C(C=C2)F)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(/C(=N/C(=S)NC(=O)C2=CC=C(C=C2)F)/S1)C)C

InChI

InChI=1S/C16H16FN3O3S2/c1-4-23-14(22)12-9(2)20(3)16(25-12)19-15(24)18-13(21)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,21,24)/b19-16-