1-methyl-2-oxidanyl-3-[4-(2-oxidanylidenechromen-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]quinolin-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-[4-(2-oxidanylidenechromen-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]quinolin-4-one Openeye Name: 2-hydroxy-1-methyl-3-[4-(2-oxochromen-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]quinolin-4-one CAS Name: 2-hydroxy-1-methyl-3-[4-(2-oxo-1-benzopyran-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-4-quinolinone IUPAC Name: 2-hydroxy-1-methyl-3-[4-(2-oxochromen-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]quinolin-4-one Traditional Name: 2-hydroxy-3-[4-(2-ketochromen-3-yl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-1-methyl-4-quinolone Formula: C28H20N2O4S MolecularWeight: 480.5344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C3CC(=NC4=CC=CC=C4S3)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C3CC(=NC4=CC=CC=C4S3)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C28H20N2O4S/c1-30-21-11-5-3-9-17(21)26(31)25(27(30)32)24-15-20(29-19-10-4-7-13-23(19)35-24)18-14-16-8-2-6-12-22(16)34-28(18)33/h2-14,24,32H,15H2,1H3