O4-ethyl O2-prop-2-enyl 5-[2-(3-ethoxycarbonylthiomorpholin-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(3-ethoxycarbonylthiomorpholin-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(3-ethoxycarbonylthiomorpholin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-ethoxycarbonyl-4-thiomorpholinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-(3-ethoxycarbonylthiomorpholin-4-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-carbethoxythiomorpholin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C21H28N2O7S2 MolecularWeight: 484.58622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)OCC

InChI

InChI=1S/C21H28N2O7S2/c1-5-9-30-21(27)17-13(4)16(20(26)29-7-3)18(32-17)22-15(24)11-23-8-10-31-12-14(23)19(25)28-6-2/h5,14H,1,6-12H2,2-4H3,(H,22,24)