[2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenyl] adamantane-1-carboxylate

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenyl] adamantane-1-carboxylate Openeye Name: [2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-3-yl)iminomethyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-methoxy-4-[(4-oxo-2-sulfanylidene-3-thiazolidinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(4-keto-2-thioxo-thiazolidin-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=O)CSC2=S)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=NN2C(=O)CSC2=S)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N2O4S2/c1-27-18-7-13(11-23-24-19(25)12-30-21(24)29)2-3-17(18)28-20(26)22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,11,14-16H,4-6,8-10,12H2,1H3