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

Systemtic Name: 4-[2-[(Z)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(Z)-(2-anilino-4-oxo-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(Z)-(2-anilino-4-oxo-5-thiazolylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(Z)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(Z)-(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C21H14N3O3S- MolecularWeight: 388.41916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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