methyl 4-[[(3-phenacyl-1,3-thiazolidin-2-ylidene)amino]methyl]benzoate bromide

Systemtic Name: methyl 4-[[(3-phenacyl-1,3-thiazolidin-2-ylidene)amino]methyl]benzoate bromide Openeye Name: methyl 4-[[(3-phenacylthiazolidin-2-ylidene)amino]methyl]benzoate bromide CAS Name: 4-[[(3-phenacyl-2-thiazolidinylidene)amino]methyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[[(3-phenacyl-1,3-thiazolidin-2-ylidene)amino]methyl]benzoate bromide Traditional Name: 4-[[(3-phenacylthiazolidin-2-ylidene)amino]methyl]benzoic acid methyl ester bromide Formula: C20H20BrN2O3S- MolecularWeight: 448.3534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN=C2N(CCS2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN=C2N(CCS2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H20N2O3S.BrH/c1-25-19(24)17-9-7-15(8-10-17)13-21-20-22(11-12-26-20)14-18(23)16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3;1H/p-1