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

Systemtic Name: (3Z)-3-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3Z)-3-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3Z)-3-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3Z)-3-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3Z)-3-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C25H25NO5S MolecularWeight: 451.5347

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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)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2C/C(=C/3\C(=O)C=C(OC3=O)C)/NC4=CC=CC=C4S2)OCC

InChI

InChI=1S/C25H25NO5S/c1-4-29-16-10-11-17(21(13-16)30-5-2)23-14-19(24-20(27)12-15(3)31-25(24)28)26-18-8-6-7-9-22(18)32-23/h6-13,23,26H,4-5,14H2,1-3H3/b24-19-