3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C2=CC(SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C2=C[C@H](SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17NO5S/c1-12-8-16(24)21(22(25)28-12)15-10-20(29-19-5-3-2-4-14(19)23-15)13-6-7-17-18(9-13)27-11-26-17/h2-10,20,23,25H,11H2,1H3/t20-/m0/s1