ethyl 5-(1,3-benzodioxol-5-yl)-3-(pyrazin-2-ylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-(pyrazin-2-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[oxo(2-pyrazinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(pyrazinoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C19H15N3O5S/c1-2-25-19(24)17-12(22-18(23)13-9-20-5-6-21-13)8-16(28-17)11-3-4-14-15(7-11)27-10-26-14/h3-9H,2,10H2,1H3,(H,22,23)