3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CSC3=CC=CC=C3NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CSC3=CC=CC=C3NC2=O)OC

InChI

InChI=1S/C17H17NO3S/c1-20-14-8-7-11(9-15(14)21-2)12-10-22-16-6-4-3-5-13(16)18-17(12)19/h3-9,12H,10H2,1-2H3,(H,18,19)