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

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(2S)-2-pyridin-4-yl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Openeye Name: 6-methyl-4-oxo-3-[(2S)-2-(4-pyridyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(2S)-2-pyridin-4-yl-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(2S)-2-pyridin-4-yl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(2S)-2-(4-pyridyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Formula: C20H15N2O3S- MolecularWeight: 363.4097

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-12-10-16(23)19(20(24)25-12)15-11-18(13-6-8-21-9-7-13)26-17-5-3-2-4-14(17)22-15/h2-10,18,24H,11H2,1H3/p-1/t18-/m0/s1