3-[(2R)-2-[(5S)-5-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one

Systemtic Name: 3-[(2R)-2-[(5S)-5-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Openeye Name: 3-[(2R)-2-[(5S)-5-hydroxy-3-oxo-cyclohexen-1-yl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one CAS Name: 3-[(2R)-2-[(5S)-5-hydroxy-3-oxo-1-cyclohexenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-2-one IUPAC Name: 3-[(2R)-2-[(5S)-5-hydroxy-3-oxocyclohexen-1-yl]-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Traditional Name: 3-[(2R)-2-[(5S)-5-hydroxy-3-keto-cyclohexen-1-yl]-2,3-dihydro-1,5-benzothiazepin-4-yl]coumarin Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1C2CC(=NC3=CC=CC=C3S2)C4=CC5=CC=CC=C5OC4=O)O

Isomeric SMILES

C1[C@@H](CC(=O)C=C1[C@H]2CC(=NC3=CC=CC=C3S2)C4=CC5=CC=CC=C5OC4=O)O

InChI

InChI=1S/C24H19NO4S/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/h1-9,11,17,23,27H,10,12-13H2/t17-,23+/m0/s1