ethyl 5-(4-methoxyphenyl)-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-methoxyphenyl)-3-[[2-(methylthio)nicotinoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H20N2O4S2/c1-4-27-21(25)18-16(23-19(24)15-6-5-11-22-20(15)28-3)12-17(29-18)13-7-9-14(26-2)10-8-13/h5-12H,4H2,1-3H3,(H,23,24)