8-(4-chloranylphenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-3-oxidanyl-1,5-benzothiazepin-4-one

Systemtic Name: 8-(4-chloranylphenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-3-oxidanyl-1,5-benzothiazepin-4-one Openeye Name: 8-(4-chlorophenoxy)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-1,5-benzothiazepin-4-one CAS Name: 8-(4-chlorophenoxy)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxy-1-cyclohexa-1,3-dienyl)-1,5-benzothiazepin-4-one IUPAC Name: 8-(4-chlorophenoxy)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-1,5-benzothiazepin-4-one Traditional Name: 8-(4-chlorophenoxy)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-1,5-benzothiazepin-4-one Formula: C26H27ClN2O4S MolecularWeight: 499.02158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)SC(=C(C1=O)O)C4=CC=C(CC4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)SC(=C(C1=O)O)C4=CC=C(CC4)OC

InChI

InChI=1S/C26H27ClN2O4S/c1-28(2)14-15-29-22-13-12-21(33-20-10-6-18(27)7-11-20)16-23(22)34-25(24(30)26(29)31)17-4-8-19(32-3)9-5-17/h4,6-8,10-13,16,30H,5,9,14-15H2,1-3H3