2-acetamido-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid

Systemtic Name: 2-acetamido-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid Openeye Name: 2-acetamido-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid CAS Name: 2-acetamido-4-[(12-methyl-7-benzo[a]anthracenyl)methylthio]butanoic acid IUPAC Name: 2-acetamido-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid Traditional Name: 2-acetamido-4-[(12-methylbenz[a]anthracen-7-yl)methylthio]butyric acid Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=CC=CC=C13)CSCCC(C(=O)O)NC(=O)C)C=CC4=CC=CC=C42

Isomeric SMILES

CC1=C2C(=C(C3=CC=CC=C13)CSCCC(C(=O)O)NC(=O)C)C=CC4=CC=CC=C42

InChI

InChI=1S/C26H25NO3S/c1-16-19-8-5-6-10-21(19)23(15-31-14-13-24(26(29)30)27-17(2)28)22-12-11-18-7-3-4-9-20(18)25(16)22/h3-12,24H,13-15H2,1-2H3,(H,27,28)(H,29,30)