2-[(5-bromanyl-6-methoxy-3-methyl-naphthalen-1-yl)carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-6-methoxy-3-methyl-naphthalen-1-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-bromo-6-methoxy-3-methyl-naphthalene-1-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(5-bromo-6-methoxy-3-methyl-1-naphthalenyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(5-bromo-6-methoxy-3-methylnaphthalene-1-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(5-bromo-6-methoxy-3-methyl-naphthalene-1-carbothioyl)-methyl-amino]acetic acid Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=C(C2=C1)Br)OC)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC1=CC(=C2C=CC(=C(C2=C1)Br)OC)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C16H16BrNO3S/c1-9-6-11-10(4-5-13(21-3)15(11)17)12(7-9)16(22)18(2)8-14(19)20/h4-7H,8H2,1-3H3,(H,19,20)