[2-bromanyl-6-ethoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C22H20BrNO5S3 MolecularWeight: 554.4969

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H20BrNO5S3/c1-4-10-24-21(25)19(31-22(24)30)13-15-11-17(23)20(18(12-15)28-5-2)29-32(26,27)16-8-6-14(3)7-9-16/h4,6-9,11-13H,1,5,10H2,2-3H3