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

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [2-bromo-6-methoxy-4-[(E)-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-bromo-6-methoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-bromo-4-[(E)-(4-keto-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C28H26BrNO4S2 MolecularWeight: 584.54434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrNO4S2/c1-33-22-11-16(12-23-25(31)30(27(35)36-23)20-5-3-2-4-6-20)10-21(29)24(22)34-26(32)28-13-17-7-18(14-28)9-19(8-17)15-28/h2-6,10-12,17-19H,7-9,13-15H2,1H3/b23-12+