methyl (4S)-6-chloranyl-4-(2-cyclopropylethynyl)-2-oxidanylidene-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylate

Systemtic Name: methyl (4S)-6-chloranyl-4-(2-cyclopropylethynyl)-2-oxidanylidene-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylate Openeye Name: methyl (4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylate CAS Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylate Traditional Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-2-keto-4-(trifluoromethyl)-3,1-benzoxazine-1-carboxylic acid methyl ester Formula: C16H11ClF3NO4 MolecularWeight: 373.71105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=C(C=C2)Cl)C(OC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

COC(=O)N1C2=C(C=C(C=C2)Cl)[C@@](OC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H11ClF3NO4/c1-24-13(22)21-12-5-4-10(17)8-11(12)15(16(18,19)20,25-14(21)23)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3/t15-/m0/s1