methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-carbamoyl]thiophene-2-carboxylate CAS Name: 5-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]thiophene-2-carboxylate Traditional Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(S3)C(=O)OC

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-3-21(18(23)15-6-7-16(28-15)19(24)25-2)11-17(22)20-12-4-5-13-14(10-12)27-9-8-26-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,22)