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

Systemtic Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2S)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-keto-6-methyl-pyran-2-olate Formula: C23H20NO5S- MolecularWeight: 422.4736

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5S/c1-13-10-18(25)22(23(26)29-13)17-12-21(30-20-7-5-4-6-16(20)24-17)15-11-14(27-2)8-9-19(15)28-3/h4-11,21,26H,12H2,1-3H3/p-1/t21-/m0/s1