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

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenoxy)-3-oxidanyl-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenoxy)-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxy-1-cyclohexa-1,3-dienyl)-8-(4-methoxyphenoxy)-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenoxy)-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxycyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenoxy)-1,5-benzothiazepin-4-one Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30N2O5S/c1-28(2)15-16-29-23-14-13-22(34-21-11-9-20(33-4)10-12-21)17-24(23)35-26(25(30)27(29)31)18-5-7-19(32-3)8-6-18/h5,7,9-14,17,30H,6,8,15-16H2,1-4H3