O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1,3-benzoxazol-2-ylthio)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C(=O)OC)C

InChI

InChI=1S/C20H20N2O6S2/c1-5-27-19(25)15-10(2)14(18(24)26-4)17(30-15)22-16(23)11(3)29-20-21-12-8-6-7-9-13(12)28-20/h6-9,11H,5H2,1-4H3,(H,22,23)