ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H21NO5S/c1-4-14-12(3)27-19(18(14)20(23)24-5-2)21-17(22)9-7-13-6-8-15-16(10-13)26-11-25-15/h6-10H,4-5,11H2,1-3H3,(H,21,22)