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

Systemtic Name: 5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-diethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-4-23(5-2)14-15-24-18-8-6-7-9-19(18)28-21(20(25)22(24)26)16-10-12-17(27-3)13-11-16/h6-13,20-21,25H,4-5,14-15H2,1-3H3