ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-methylpyridin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-methylpyridin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[(6-methylnicotinoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-3-26-21(25)19-15(23-20(24)14-5-4-12(2)22-10-14)9-18(29-19)13-6-7-16-17(8-13)28-11-27-16/h4-10H,3,11H2,1-2H3,(H,23,24)