5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(2R)-2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-keto-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C20H15BrN3O2S2- MolecularWeight: 473.386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C2=C[C@@H](SC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C20H16BrN3O2S2/c1-24-19(26)17(18(25)23-20(24)27)14-10-16(11-6-8-12(21)9-7-11)28-15-5-3-2-4-13(15)22-14/h2-10,16,22,26H,1H3,(H,23,25,27)/p-1/t16-/m1/s1