ethyl 2-acetamido-3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoate Openeye Name: ethyl 2-acetamido-3-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-dioxo-2-naphthyl]sulfanyl]propanoate CAS Name: 2-acetamido-3-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-diketo-2-naphthyl]thio]propionic acid ethyl ester Formula: C31H37NO6S MolecularWeight: 551.69358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CSC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)NC(=O)C

InChI

InChI=1S/C31H37NO6S/c1-9-38-29(37)23(32-17(2)33)16-39-28-24(25(34)19-12-10-11-13-20(19)26(28)35)18-14-21(30(3,4)5)27(36)22(15-18)31(6,7)8/h10-15,23,36H,9,16H2,1-8H3,(H,32,33)