3-[(2R)-2-(4-ethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(2R)-2-(4-ethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(2R)-2-(4-ethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2R)-2-(4-ethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2R)-2-(4-ethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 6-methyl-3-[(2R)-2-p-phenetyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=C3C(=O)C=C(OC3=O)C)NC4=CC=CC=C4S2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC(=C3C(=O)C=C(OC3=O)C)NC4=CC=CC=C4S2

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/h4-12,21,24H,3,13H2,1-2H3/t21-/m1/s1