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

Systemtic Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-keto-6-methyl-pyran-2-olate Formula: C23H21N2O3S- MolecularWeight: 405.48944

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-14-12-19(26)22(23(27)28-14)18-13-21(15-8-10-16(11-9-15)25(2)3)29-20-7-5-4-6-17(20)24-18/h4-12,21,27H,13H2,1-3H3/p-1/t21-/m1/s1