ethyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)pyrazinoyl]amino]benzoic acid ethyl ester Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4O3S/c1-2-28-21(27)13-7-9-14(10-8-13)24-19(26)17-18(23-12-11-22-17)20-25-15-5-3-4-6-16(15)29-20/h3-12H,2H2,1H3,(H,24,26)