methyl 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate

Systemtic Name: methyl 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate Openeye Name: methyl 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate CAS Name: 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate Traditional Name: 3-(1-adamantyl)-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(C(=NC2=CC=C(C=C2)[N+](=O)[O-])S1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1CCN(C(=NC2=CC=C(C=C2)[N+](=O)[O-])S1)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O4S/c1-29-20(26)19-6-7-24(22-11-14-8-15(12-22)10-16(9-14)13-22)21(30-19)23-17-2-4-18(5-3-17)25(27)28/h2-5,14-16,19H,6-13H2,1H3