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

Systemtic Name: 4-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C16H14N3O2S- MolecularWeight: 312.36626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C3=CSC(=N3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C3=CSC(=N3)N

InChI

InChI=1S/C16H15N3O2S/c1-9-7-13(14-8-22-16(17)18-14)10(2)19(9)12-5-3-11(4-6-12)15(20)21/h3-8H,1-2H3,(H2,17,18)(H,20,21)/p-1