[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O6S/c22-18-13-5-1-4-8-16(13)31-19(18)20(26)29-11-17(25)24-21(27)23-9-12-10-28-14-6-2-3-7-15(14)30-12/h1-8,12H,9-11H2,(H2,23,24,25,27)