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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3O2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3O2)C(=O)OC)C

InChI

InChI=1S/C20H20N2O6S2/c1-4-27-19(25)16-11(2)15(18(24)26-3)17(30-16)22-14(23)9-10-29-20-21-12-7-5-6-8-13(12)28-20/h5-8H,4,9-10H2,1-3H3,(H,22,23)