methyl 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate

Systemtic Name: methyl 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate Openeye Name: methyl 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylate CAS Name: 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylate Traditional Name: 3-(1-adamantylmethyl)-2-(4-fluorophenyl)imino-4-keto-1,3-thiazine-6-carboxylic acid methyl ester Formula: C23H25FN2O3S MolecularWeight: 428.519603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25FN2O3S/c1-29-21(28)19-9-20(27)26(22(30-19)25-18-4-2-17(24)3-5-18)13-23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,9,14-16H,6-8,10-13H2,1H3