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

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(2R)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Openeye Name: 6-methyl-4-oxo-3-[(2R)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(2R)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(2R)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(2R)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Formula: C21H16NO3S- MolecularWeight: 362.42164

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO3S/c1-13-11-17(23)20(21(24)25-13)16-12-19(14-7-3-2-4-8-14)26-18-10-6-5-9-15(18)22-16/h2-11,19,24H,12H2,1H3/p-1/t19-/m1/s1