ethyl 5-aminocarbonyl-2-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN(C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN(C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O6S/c1-4-28-21(27)17-12(2)18(19(22)26)31-20(17)23-16(25)11-24(3)10-13-5-6-14-15(9-13)30-8-7-29-14/h5-6,9H,4,7-8,10-11H2,1-3H3,(H2,22,26)(H,23,25)