3-[[4-oxidanylidene-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-oxidanylidene-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[4-oxo-5-[(2-prop-2-ynoxy-1-naphthyl)methylene]thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[4-oxo-5-[(2-prop-2-ynoxy-1-naphthalenyl)methylidene]-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[4-oxo-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[4-keto-5-[(2-propargyloxy-1-naphthyl)methylene]-2-thiazolin-2-yl]amino]benzoic acid Formula: C24H16N2O4S MolecularWeight: 428.45984

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H16N2O4S/c1-2-12-30-20-11-10-15-6-3-4-9-18(15)19(20)14-21-22(27)26-24(31-21)25-17-8-5-7-16(13-17)23(28)29/h1,3-11,13-14H,12H2,(H,28,29)(H,25,26,27)