2-acetamido-4-[(10-methylanthracen-9-yl)methylsulfanyl]butanoic acid

Systemtic Name: 2-acetamido-4-[(10-methylanthracen-9-yl)methylsulfanyl]butanoic acid Openeye Name: 2-acetamido-4-[(10-methyl-9-anthryl)methylsulfanyl]butanoic acid CAS Name: 2-acetamido-4-[(10-methyl-9-anthracenyl)methylthio]butanoic acid IUPAC Name: 2-acetamido-4-[(10-methylanthracen-9-yl)methylsulfanyl]butanoic acid Traditional Name: 2-acetamido-4-[(10-methyl-9-anthryl)methylthio]butyric acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSCCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSCCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C22H23NO3S/c1-14-16-7-3-5-9-18(16)20(19-10-6-4-8-17(14)19)13-27-12-11-21(22(25)26)23-15(2)24/h3-10,21H,11-13H2,1-2H3,(H,23,24)(H,25,26)