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

Systemtic Name: [2-methoxy-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(Z)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S2/c1-26-17-7-12(8-18-19(24)23-21(28)29-18)2-3-16(17)27-20(25)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H,23,24,28)/b18-8-