3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(homoveratrylamino)-1-(7-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCCN2C(=O)CCNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SCCCN2C(=O)CCNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-17-5-8-22-19(15-17)25(13-4-14-29-22)23(26)10-12-24-11-9-18-6-7-20(27-2)21(16-18)28-3/h5-8,15-16,24H,4,9-14H2,1-3H3