2-[(4-aminocarbonylphenyl)-[[(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)amino]methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-aminocarbonylphenyl)-[[(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)amino]methyl]amino]ethanoic acid Openeye Name: 2-[4-carbamoyl-N-[[(2-thioxo-3H-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetic acid CAS Name: 2-[4-carbamoyl-N-[[(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetic acid IUPAC Name: 2-[4-carbamoyl-N-[[(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetic acid Traditional Name: 2-[4-carbamoyl-N-[[(2-thioxo-3H-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N(CC(=O)O)CNC2=CC3=C(C=C2)NC(=S)O3

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N(CC(=O)O)CNC2=CC3=C(C=C2)NC(=S)O3

InChI

InChI=1S/C17H16N4O4S/c18-16(24)10-1-4-12(5-2-10)21(8-15(22)23)9-19-11-3-6-13-14(7-11)25-17(26)20-13/h1-7,19H,8-9H2,(H2,18,24)(H,20,26)(H,22,23)