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

Systemtic Name: 5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(2R)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-1-methyl-2-thioxo-pyrimidin-4-one Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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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)/t17-/m1/s1