8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(1-piperidyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-piperidinoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H27ClN2O3S MolecularWeight: 446.99008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN4CCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN4CCCCC4)O

InChI

InChI=1S/C23H27ClN2O3S/c1-29-18-8-5-16(6-9-18)22-21(27)23(28)26(14-13-25-11-3-2-4-12-25)19-10-7-17(24)15-20(19)30-22/h5-10,15,21-22,27H,2-4,11-14H2,1H3