2-[2-[2-[(4-methylphenyl)carbonyl-propyl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(4-methylphenyl)carbonyl-propyl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-[(4-methylbenzoyl)-propyl-amino]acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-[[(4-methylphenyl)-oxomethyl]-propylamino]-1-oxoethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-[(4-methylbenzoyl)-propylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-[propyl(p-toluoyl)amino]acetyl]amino]thiazol-4-yl]acetic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=NC(=CS1)CC(=O)O)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCN(CC(=O)NC1=NC(=CS1)CC(=O)O)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21N3O4S/c1-3-8-21(17(25)13-6-4-12(2)5-7-13)10-15(22)20-18-19-14(11-26-18)9-16(23)24/h4-7,11H,3,8-10H2,1-2H3,(H,23,24)(H,19,20,22)