4-[[4-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-[[4-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-thiazolyl]amino]benzoate IUPAC Name: 4-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)thiazol-2-yl]amino]benzoate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-9-15(11(3)22)10(2)19-16(9)14-8-25-18(21-14)20-13-6-4-12(5-7-13)17(23)24/h4-8,19H,1-3H3,(H,20,21)(H,23,24)/p-1