[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N(C)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N(C)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H20N2O5S/c1-13-15-7-3-4-8-16(15)28-19(13)20(25)27-12-18(24)22(2)11-17(23)21-10-14-6-5-9-26-14/h3-9H,10-12H2,1-2H3,(H,21,23)