ethyl 4,5-dimethyl-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[3-(4-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C21H25NO4S/c1-5-13-26-17-10-7-16(8-11-17)9-12-18(23)22-20-19(21(24)25-6-2)14(3)15(4)27-20/h7-12H,5-6,13H2,1-4H3,(H,22,23)