2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(2-methoxyphenyl)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN3C(=O)CC(SC4=CC=CC=C43)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN3C(=O)CC(SC4=CC=CC=C43)C5=CC=CC=C5OC

InChI

InChI=1S/C27H25N3O3S/c1-32-20-13-11-18(12-14-20)27-19(16-28-29-27)17-30-22-8-4-6-10-24(22)34-25(15-26(30)31)21-7-3-5-9-23(21)33-2/h3-14,16,25H,15,17H2,1-2H3,(H,28,29)