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

Systemtic Name: 2-azanyl-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[(12-methyl-7-benzo[a]anthracenyl)methylthio]butanoic acid IUPAC Name: 2-amino-4-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[(12-methylbenz[a]anthracen-7-yl)methylthio]butyric acid Formula: C24H23NO2S MolecularWeight: 389.50992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO2S/c1-15-17-7-4-5-9-19(17)21(14-28-13-12-22(25)24(26)27)20-11-10-16-6-2-3-8-18(16)23(15)20/h2-11,22H,12-14,25H2,1H3,(H,26,27)