8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one

Systemtic Name: 8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one Openeye Name: 8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one CAS Name: 8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one IUPAC Name: 8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one Traditional Name: 8-methyl-2-(4-octoxyphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2NC3=C(C=CC(=C3)C)C(=O)CS2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2NC3=C(C=CC(=C3)C)C(=O)CS2

InChI

InChI=1S/C24H31NO2S/c1-3-4-5-6-7-8-15-27-20-12-10-19(11-13-20)24-25-22-16-18(2)9-14-21(22)23(26)17-28-24/h9-14,16,24-25H,3-8,15,17H2,1-2H3