(3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-8-methyl-chromene-2,4-dione

Systemtic Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-8-methyl-chromene-2,4-dione Openeye Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-8-methyl-chromane-2,4-dione CAS Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-8-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]-8-methylchromene-2,4-dione Traditional Name: (3Z)-3-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-8-methyl-chroman-2,4-quinone Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=O)C(=C3CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)C2=O

Isomeric SMILES

CC1=CC=CC2=C1OC(=O)/C(=C\3/CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)/C2=O

InChI

InChI=1S/C26H21NO4S/c1-15-6-5-7-18-24(28)23(26(29)31-25(15)18)20-14-22(16-10-12-17(30-2)13-11-16)32-21-9-4-3-8-19(21)27-20/h3-13,22,27H,14H2,1-2H3/b23-20-