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

Systemtic Name: 3-[(2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2R)-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2R)-2-(4-hydroxy-3-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=CC(=C(C=C4)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5S/c1-12-9-17(25)21(22(26)28-12)15-11-20(13-7-8-16(24)18(10-13)27-2)29-19-6-4-3-5-14(19)23-15/h3-10,20,24,26H,11H2,1-2H3/p-1/t20-/m1/s1