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

Systemtic Name: 2-[2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione CAS Name: 2-[2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexane-1,3-quinone Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NC4=CC=CC=C4S2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NC4=CC=CC=C4S2)OC)OC

InChI

InChI=1S/C24H25NO5S/c1-28-19-12-11-14(23(29-2)24(19)30-3)21-13-16(22-17(26)8-6-9-18(22)27)25-15-7-4-5-10-20(15)31-21/h4-5,7,10-12,21,25H,6,8-9,13H2,1-3H3