4-[[3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]carbonylamino]butanoate

Systemtic Name: 4-[[3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]carbonylamino]butanoate Openeye Name: 4-[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoyl]amino]butanoate CAS Name: 4-[[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]phenyl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoyl]amino]butanoate Traditional Name: 4-[[3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoyl]amino]butyrate Formula: C22H19N4O4S- MolecularWeight: 435.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NCCCC(=O)[O-])N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NCCCC(=O)[O-])N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O4S/c23-20-19(22-25-15-7-1-2-8-17(15)31-22)16(27)12-26(20)14-6-3-5-13(11-14)21(30)24-10-4-9-18(28)29/h1-3,5-8,11H,4,9-10,12,23H2,(H,24,30)(H,28,29)/p-1