2-methoxyethyl 5-aminocarbonyl-2-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-2-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxyacetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C22H22N2O9S MolecularWeight: 490.48308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C22H22N2O9S/c1-12-18(22(28)30-8-7-29-2)21(34-19(12)20(23)27)24-16(25)10-31-17(26)6-4-13-3-5-14-15(9-13)33-11-32-14/h3-6,9H,7-8,10-11H2,1-2H3,(H2,23,27)(H,24,25)/b6-4+