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

Systemtic Name: [4-bromanyl-2-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] methanesulfonate Openeye Name: [2-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-bromo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-bromo-2-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-4-bromo-phenyl] ester Formula: C14H12BrNO4S3 MolecularWeight: 434.34838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CC=C

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CC=C

InChI

InChI=1S/C14H12BrNO4S3/c1-3-6-16-13(17)12(22-14(16)21)8-9-7-10(15)4-5-11(9)20-23(2,18)19/h3-5,7-8H,1,6H2,2H3