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

Systemtic Name: 6-methyl-3-[(2R)-2-(2-oxidanyl-3-prop-2-enyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 3-[(2R)-2-(3-allyl-2-hydroxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2R)-2-(2-hydroxy-3-prop-2-enylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2R)-2-(2-hydroxy-3-prop-2-enylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(2R)-2-(3-allyl-2-hydroxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=C(C(=CC=C4)CC=C)O)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@@H](SC3=CC=CC=C3N2)C4=C(C(=CC=C4)CC=C)O)C(=O)O1

InChI

InChI=1S/C24H21NO4S/c1-3-7-15-8-6-9-16(23(15)27)21-13-18(22-19(26)12-14(2)29-24(22)28)25-17-10-4-5-11-20(17)30-21/h3-6,8-12,21,25,27H,1,7,13H2,2H3/t21-/m1/s1