5-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Systemtic Name: 5-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C6C(=C5)SC(=O)O6)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C6C(=C5)SC(=O)O6)OC)C(=O)C1)C

InChI

InChI=1S/C27H23NO4S/c1-27(2)12-17-22-16-7-5-4-6-14(16)8-9-18(22)28-24(23(17)19(29)13-27)15-10-20(31-3)25-21(11-15)33-26(30)32-25/h4-11,24,28H,12-13H2,1-3H3