3-[(2S)-2-(5-methoxy-2-oxidanyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate

Systemtic Name: 3-[(2S)-2-(5-methoxy-2-oxidanyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2S)-2-(2-hydroxy-5-methoxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2S)-2-(2-hydroxy-5-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2S)-2-(2-hydroxy-5-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2S)-2-(2-hydroxy-5-methoxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-keto-6-methyl-pyran-2-olate Formula: C22H18NO5S- MolecularWeight: 408.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3SC(C2)C4=C(C=CC(=C4)OC)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3S[C@@H](C2)C4=C(C=CC(=C4)OC)O

InChI

InChI=1S/C22H19NO5S/c1-12-9-18(25)21(22(26)28-12)16-11-20(14-10-13(27-2)7-8-17(14)24)29-19-6-4-3-5-15(19)23-16/h3-10,20,24,26H,11H2,1-2H3/p-1/t20-/m0/s1