5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1-methyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1-methyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(2R)-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1-methyl-2-thioxo-pyrimidin-4-one Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C2=CC(SC3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S2/c1-25-21(27)19(20(26)24-22(25)30)15-11-18(31-17-7-5-4-6-14(17)23-15)13-10-12(28-2)8-9-16(13)29-3/h4-11,18,23,27H,1-3H3,(H,24,26,30)/t18-/m1/s1