5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)O)CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)O)CCN(C)C

InChI

InChI=1S/C21H26N2O3S/c1-14-5-10-17-18(13-14)27-20(15-6-8-16(26-4)9-7-15)19(24)21(25)23(17)12-11-22(2)3/h5-10,13,19-20,24H,11-12H2,1-4H3