ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O5S2/c1-3-26-20(25)18-13(15-9-8-12(2)27-15)10-29-19(18)23-17(24)11-30-21-22-14-6-4-5-7-16(14)28-21/h4-10H,3,11H2,1-2H3,(H,23,24)