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

Systemtic Name: 8-chloranyl-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27ClN2O3S/c1-4-24(5-2)12-13-25-18-11-8-16(23)14-19(18)29-21(20(26)22(25)27)15-6-9-17(28-3)10-7-15/h6-11,14,20-21,26H,4-5,12-13H2,1-3H3