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

Systemtic Name: 2-[2-[2-[cyclopropyl-(2-methylphenyl)carbonyl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-[cyclopropyl-(2-methylbenzoyl)amino]acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-[cyclopropyl-[(2-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-[cyclopropyl-(2-methylbenzoyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-[cyclopropyl(o-toluoyl)amino]acetyl]amino]thiazol-4-yl]acetic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC(=O)NC2=NC(=CS2)CC(=O)O)C3CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC(=O)NC2=NC(=CS2)CC(=O)O)C3CC3

InChI

InChI=1S/C18H19N3O4S/c1-11-4-2-3-5-14(11)17(25)21(13-6-7-13)9-15(22)20-18-19-12(10-26-18)8-16(23)24/h2-5,10,13H,6-9H2,1H3,(H,23,24)(H,19,20,22)