ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-oxidanylidene-1,3-benzothiazin-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-oxidanylidene-1,3-benzothiazin-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(4-keto-1,3-benzothiazin-2-yl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15N5O4S2 MolecularWeight: 417.4621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C17H15N5O4S2/c1-2-26-15(25)10-7-19-16(21-13(10)18)27-8-12(23)20-17-22-14(24)9-5-3-4-6-11(9)28-17/h3-7H,2,8H2,1H3,(H2,18,19,21)(H,20,22,23,24)