[2-methoxy-4-[(E)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenyl] adamantane-1-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [4-[(E)-(2-anilino-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[(E)-(2-anilino-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(E)-(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)NC3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28N2O4S/c1-33-23-12-17(13-24-25(31)30-27(35-24)29-21-5-3-2-4-6-21)7-8-22(23)34-26(32)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,29,30,31)/b24-13+