3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methyl-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methyl-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methyl-chromen-4-one CAS Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methyl-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methylchromen-4-one Traditional Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-8-methyl-chromone Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C(C2=O)C3=CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)O

Isomeric SMILES

CC1=CC=CC2=C1OC(=C(C2=O)C3=CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)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/h3-14,22,27,29H,1-2H3