1-[2-(3-methoxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-yl-pentan-1-one

Systemtic Name: 1-[2-(3-methoxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-yl-pentan-1-one Openeye Name: 1-[2-(3-methoxyphenyl)-4-(2-thienyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholino-pentan-1-one CAS Name: 1-[2-(3-methoxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-(4-morpholinyl)-1-pentanone IUPAC Name: 1-[2-(3-methoxyphenyl)-4-thiophen-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-ylpentan-1-one Traditional Name: 1-[2-(3-methoxyphenyl)-4-(2-thienyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholino-pentan-1-one Formula: C29H34N2O3S2 MolecularWeight: 522.72186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(N(C3=CC=CC=C3S2)C(=O)CCCCN4CCOCC4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C2CC(N(C3=CC=CC=C3S2)C(=O)CCCCN4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C29H34N2O3S2/c1-33-23-9-6-8-22(20-23)28-21-25(26-12-7-19-35-26)31(24-10-2-3-11-27(24)36-28)29(32)13-4-5-14-30-15-17-34-18-16-30/h2-3,6-12,19-20,25,28H,4-5,13-18,21H2,1H3