3-[2-[(Z)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(Z)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-(2-anilino-4-oxo-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-(2-anilino-4-oxo-5-thiazolylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)S2

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/S2

InChI

InChI=1S/C21H15N3O3S/c25-19-18(28-21(23-19)22-15-7-2-1-3-8-15)13-17-10-5-11-24(17)16-9-4-6-14(12-16)20(26)27/h1-13H,(H,26,27)(H,22,23,25)/b18-13-