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

Systemtic Name: 2-[4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]phenyl]acetic acid CAS Name: 2-[4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]phenyl]acetic acid IUPAC Name: 2-[4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]phenyl]acetic acid Traditional Name: 2-[4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]phenyl]acetic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)CC(=O)O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)CC(=O)O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S/c20-18-17(19-21-13-3-1-2-4-15(13)26-19)14(23)10-22(18)12-7-5-11(6-8-12)9-16(24)25/h1-8H,9-10,20H2,(H,24,25)