2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(E)-1-oxo-3-phenylprop-2-enoxy]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[(E)-3-phenylacryloyl]oxyacetyl]amino]thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C=CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)/C=C/C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C21H22N2O7S/c1-13-17(21(27)29-11-10-28-2)20(31-18(13)19(22)26)23-15(24)12-30-16(25)9-8-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H2,22,26)(H,23,24)/b9-8+