(3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methyl-chromene-2,4-dione

Systemtic Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methyl-chromene-2,4-dione Openeye Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methyl-chromane-2,4-dione CAS Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methyl-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methylchromene-2,4-dione Traditional Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-7-methyl-chroman-2,4-quinone Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C3CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)/C(=C/3\CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)/C(=O)O2

InChI

InChI=1S/C26H21NO4S/c1-15-7-12-18-21(13-15)31-26(29)24(25(18)28)20-14-23(16-8-10-17(30-2)11-9-16)32-22-6-4-3-5-19(22)27-20/h3-13,23,27H,14H2,1-2H3/b24-20-