[2-(2-methyl-4-oxidanyl-phenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [2-(2-methyl-4-oxidanyl-phenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [2-(4-hydroxy-2-methyl-phenyl)-6-phosphonato-benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [2-(4-hydroxy-2-methylphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [2-(4-hydroxy-2-methylphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [2-(4-hydroxy-2-methyl-phenyl)-6-phosphonato-benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C29H28NO6PS-2 MolecularWeight: 549.574481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)P(=O)([O-])[O-])C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)P(=O)([O-])[O-])C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H30NO6PS/c1-19-17-21(31)7-11-24(19)29-27(25-12-10-23(37(33,34)35)18-26(25)38-29)28(32)20-5-8-22(9-6-20)36-16-15-30-13-3-2-4-14-30/h5-12,17-18,31H,2-4,13-16H2,1H3,(H2,33,34,35)/p-2