ethyl (4E,5R,6S)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5R,6S)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5R,6S)-4-[(4-fluorophenyl)sulfanylmethylene]-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: (4E,5R,6S)-4-[[(4-fluorophenyl)thio]methylidene]-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5R,6S)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5R,6S)-4-[[(4-fluorophenyl)thio]methylene]-2-keto-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H17FN2O3S2 MolecularWeight: 392.467583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CSC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]\1[C@H](NC(=O)N/C1=C/SC2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C18H17FN2O3S2/c1-2-24-17(22)15-13(10-26-12-7-5-11(19)6-8-12)20-18(23)21-16(15)14-4-3-9-25-14/h3-10,15-16H,2H2,1H3,(H2,20,21,23)/b13-10+/t15-,16+/m0/s1