2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione CAS Name: 2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[2-(2,4-diethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-quinone Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NC4=CC=CC=C4S2)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NC4=CC=CC=C4S2)OCC

InChI

InChI=1S/C25H27NO4S/c1-3-29-16-12-13-17(22(14-16)30-4-2)24-15-19(25-20(27)9-7-10-21(25)28)26-18-8-5-6-11-23(18)31-24/h5-6,8,11-14,24,26H,3-4,7,9-10,15H2,1-2H3