3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-chromen-4-one CAS Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methylchromen-4-one Traditional Name: 2-hydroxy-3-[2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-chromone Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)C3=CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)C3=CC(SC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)O

InChI

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