2-[[1-[(5-cyano-1-benzothiophen-2-yl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[1-[(5-cyano-1-benzothiophen-2-yl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[1-[(5-cyanobenzothiophen-2-yl)methoxy]naphthalene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[1-[(5-cyano-1-benzothiophen-2-yl)methoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-[(5-cyano-1-benzothiophen-2-yl)methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[1-[(5-cyanobenzothiophen-2-yl)methoxy]-2-naphthoyl]amino]-2-methyl-propionic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CC4=C(S3)C=CC(=C4)C#N

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CC4=C(S3)C=CC(=C4)C#N

InChI

InChI=1S/C25H20N2O4S/c1-25(2,24(29)30)27-23(28)20-9-8-16-5-3-4-6-19(16)22(20)31-14-18-12-17-11-15(13-26)7-10-21(17)32-18/h3-12H,14H2,1-2H3,(H,27,28)(H,29,30)