3-(1-benzothiophen-3-yl)-2-[(2-methylphenyl)carbamoylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[(2-methylphenyl)carbamoylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(o-tolylcarbamoylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[(2-methylanilino)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[(2-methylphenyl)carbamoylamino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(o-tolylcarbamoylamino)propionic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

InChI

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