2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(5E)-4-keto-5-piperonylidene-2-thiazolin-2-yl]amino]-3-phenyl-propionic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N=C(S3)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H16N2O5S/c23-18-17(10-13-6-7-15-16(9-13)27-11-26-15)28-20(22-18)21-14(19(24)25)8-12-4-2-1-3-5-12/h1-7,9-10,14H,8,11H2,(H,24,25)(H,21,22,23)/b17-10+