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

Systemtic Name: 3-[3-[(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)N=C(S3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)N=C(S3)NC(=O)C

InChI

InChI=1S/C19H17N3O4S/c1-10-7-14(9-16-17(24)21-19(27-16)20-12(3)23)11(2)22(10)15-6-4-5-13(8-15)18(25)26/h4-9H,1-3H3,(H,25,26)(H,20,21,23,24)