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

Systemtic Name: 3-[(2S)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2S)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2S)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2S)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2S)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-keto-6-methyl-pyran-2-olate Formula: C21H14Cl2NO3S- MolecularWeight: 431.31176

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2NO3S/c1-11-8-17(25)20(21(26)27-11)16-10-19(12-6-7-13(22)14(23)9-12)28-18-5-3-2-4-15(18)24-16/h2-9,19,26H,10H2,1H3/p-1/t19-/m0/s1