2-(4-methoxyphenyl)-7-methylsulfanyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-7-methylsulfanyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(4-methoxyphenyl)-7-methylsulfanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-7-(methylthio)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-7-methylsulfanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(4-methoxyphenyl)-7-(methylthio)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=CC(=C3)SC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=CC(=C3)SC)O

InChI

InChI=1S/C17H17NO3S2/c1-21-11-5-3-10(4-6-11)16-15(19)17(20)18-13-9-12(22-2)7-8-14(13)23-16/h3-9,15-16,19H,1-2H3,(H,18,20)