2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]propanoic acid

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]propanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino]propanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(C)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-10-9-12(16-20-14-5-3-4-6-15(14)25-16)7-8-13(10)21-18(24)19-11(2)17(22)23/h3-9,11H,1-2H3,(H,22,23)(H2,19,21,24)