ethyl 5-ethanoyl-4-methyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[3-(2-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C22H25NO5S/c1-5-13-28-17-10-8-7-9-16(17)11-12-18(25)23-21-19(22(26)27-6-2)14(3)20(29-21)15(4)24/h7-12H,5-6,13H2,1-4H3,(H,23,25)