2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(2-methoxyphenyl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3OC)C

Isomeric SMILES

CC(=CCN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3OC)C

InChI

InChI=1S/C21H23NO2S/c1-15(2)12-13-22-17-9-5-7-11-19(17)25-20(14-21(22)23)16-8-4-6-10-18(16)24-3/h4-12,20H,13-14H2,1-3H3