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

Systemtic Name: 3-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(2R)-2-p-phenetyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Formula: C23H20NO4S- MolecularWeight: 406.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=C(OC(=CC4=O)C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC(=NC3=CC=CC=C3S2)C4=C(OC(=CC4=O)C)[O-]

InChI

InChI=1S/C23H21NO4S/c1-3-27-16-10-8-15(9-11-16)21-13-18(22-19(25)12-14(2)28-23(22)26)24-17-6-4-5-7-20(17)29-21/h4-12,21,26H,3,13H2,1-2H3/p-1/t21-/m1/s1