8-chloranyl-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 8-chloranyl-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CNCCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CNCCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H19ClN2O3S/c1-20-8-9-21-14-7-4-12(19)10-15(14)25-17(16(23)18(21)24)11-2-5-13(22)6-3-11/h2-7,10,16-17,20,22-23H,8-9H2,1H3