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

Systemtic Name: [2-methoxy-4-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [4-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4S2/c1-3-6-26-22(27)21(32-24(26)31)11-15-4-5-19(20(10-15)29-2)30-23(28)25-12-16-7-17(13-25)9-18(8-16)14-25/h3-5,10-11,16-18H,1,6-9,12-14H2,2H3/b21-11+