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

Systemtic Name: 5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C21H18N3O3S2- MolecularWeight: 424.51592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C2=CC(SC3=CC=CC=C3N2)C4=CC=CC=C4OC)[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)C2=C[C@@H](SC3=CC=CC=C3N2)C4=CC=CC=C4OC)[O-]

InChI

InChI=1S/C21H19N3O3S2/c1-24-20(26)18(19(25)23-21(24)28)14-11-17(12-7-3-5-9-15(12)27-2)29-16-10-6-4-8-13(16)22-14/h3-11,17,22,26H,1-2H3,(H,23,25,28)/p-1/t17-/m1/s1