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

Systemtic Name: 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate IUPAC Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoate Formula: C18H12N3O3S- MolecularWeight: 350.37118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S/c19-16-15(17-20-12-3-1-2-4-14(12)25-17)13(22)9-21(16)11-7-5-10(6-8-11)18(23)24/h1-8H,9,19H2,(H,23,24)/p-1