6,9-bis(chloranyl)-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 6,9-bis(chloranyl)-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 6,9-dichloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 6,9-dichloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 6,9-dichloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 6,9-dichloro-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H13Cl2NO3S MolecularWeight: 370.25032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(C=CC(=C3S2)Cl)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(C=CC(=C3S2)Cl)Cl)O

InChI

InChI=1S/C16H13Cl2NO3S/c1-22-9-4-2-8(3-5-9)14-13(20)16(21)19-12-10(17)6-7-11(18)15(12)23-14/h2-7,13-14,20H,1H3,(H,19,21)