2-[[3-(aminomethyl)phenyl]carbonyl-(3-methyl-1-benzothiophen-2-yl)amino]ethanoic acid

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(3-methyl-1-benzothiophen-2-yl)amino]ethanoic acid Openeye Name: 2-[[3-(aminomethyl)benzoyl]-(3-methylbenzothiophen-2-yl)amino]acetic acid CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-(3-methyl-1-benzothiophen-2-yl)amino]acetic acid IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-(3-methyl-1-benzothiophen-2-yl)amino]acetic acid Traditional Name: 2-[[3-(aminomethyl)benzoyl]-(3-methylbenzothiophen-2-yl)amino]acetic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN

InChI

InChI=1S/C19H18N2O3S/c1-12-15-7-2-3-8-16(15)25-19(12)21(11-17(22)23)18(24)14-6-4-5-13(9-14)10-20/h2-9H,10-11,20H2,1H3,(H,22,23)