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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]propanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]propanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]propionic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3O3S/c1-10(16(21)22)18-17(23)19-12-8-6-11(7-9-12)15-20-13-4-2-3-5-14(13)24-15/h2-10H,1H3,(H,21,22)(H2,18,19,23)