3-[2-[3,5-bis(oxidanyl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one

Systemtic Name: 3-[2-[3,5-bis(oxidanyl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Openeye Name: 3-[2-(3,5-dihydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one CAS Name: 3-[2-(3,5-dihydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-2-one IUPAC Name: 3-[2-(3,5-dihydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Traditional Name: 3-[2-(3,5-dihydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]coumarin Formula: C24H17NO4S MolecularWeight: 415.46108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4OC3=O)C5=CC(=CC(=C5)O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4OC3=O)C5=CC(=CC(=C5)O)O

InChI

InChI=1S/C24H17NO4S/c26-16-9-15(10-17(27)12-16)23-13-20(25-19-6-2-4-8-22(19)30-23)18-11-14-5-1-3-7-21(14)29-24(18)28/h1-12,23,26-27H,13H2