3-(furan-2-ylmethylamino)-4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

Systemtic Name: 3-(furan-2-ylmethylamino)-4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid Openeye Name: 3-(2-furylmethylamino)-4-oxo-4-[(4-phenylthiazol-2-yl)amino]butanoic acid CAS Name: 3-(2-furanylmethylamino)-4-oxo-4-[(4-phenyl-2-thiazolyl)amino]butanoic acid IUPAC Name: 3-(furan-2-ylmethylamino)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid Traditional Name: 3-(2-furfurylamino)-4-keto-4-[(4-phenylthiazol-2-yl)amino]butyric acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CC(=O)O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CC(=O)O)NCC3=CC=CO3

InChI

InChI=1S/C18H17N3O4S/c22-16(23)9-14(19-10-13-7-4-8-25-13)17(24)21-18-20-15(11-26-18)12-5-2-1-3-6-12/h1-8,11,14,19H,9-10H2,(H,22,23)(H,20,21,24)