ethyl 4-azanyl-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 4-amino-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 4-amino-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-amino-2-(3-nitrophenyl)-2H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C3=CC=CC=C3SC2=NC1C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N2C3=CC=CC=C3SC2=NC1C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C19H16N4O4S/c1-2-27-18(24)15-16(11-6-5-7-12(10-11)23(25)26)21-19-22(17(15)20)13-8-3-4-9-14(13)28-19/h3-10,16H,2,20H2,1H3