[4-[(Z)-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [4-[(Z)-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [2-bromo-4-[(Z)-(2,4-dioxothiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-bromo-4-[(Z)-(2,4-dioxo-5-thiazolidinylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-bromo-4-[(Z)-(2,4-diketothiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C22H22BrNO5S MolecularWeight: 492.38278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)S2)Br)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H22BrNO5S/c1-28-16-6-11(7-17-19(25)24-21(27)30-17)5-15(23)18(16)29-20(26)22-8-12-2-13(9-22)4-14(3-12)10-22/h5-7,12-14H,2-4,8-10H2,1H3,(H,24,25,27)/b17-7-