2-[4-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]ethanoate

Systemtic Name: 2-[4-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]ethanoate Openeye Name: 2-[4-[5-amino-3-oxo-4-[4-(p-tolyl)thiazol-2-yl]-2H-pyrrol-1-yl]phenyl]acetate CAS Name: 2-[4-[5-amino-4-[4-(4-methylphenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]phenyl]acetate IUPAC Name: 2-[4-[5-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]phenyl]acetate Traditional Name: 2-[4-[2-amino-4-keto-3-[4-(p-tolyl)thiazol-2-yl]-2-pyrrolin-1-yl]phenyl]acetate Formula: C22H18N3O3S- MolecularWeight: 404.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=C(C=C4)CC(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=C(C=C4)CC(=O)[O-])N

InChI

InChI=1S/C22H19N3O3S/c1-13-2-6-15(7-3-13)17-12-29-22(24-17)20-18(26)11-25(21(20)23)16-8-4-14(5-9-16)10-19(27)28/h2-9,12H,10-11,23H2,1H3,(H,27,28)/p-1