[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C16H17ClN2O4S/c1-2-3-8-18-16(22)19-12(20)9-23-15(21)14-13(17)10-6-4-5-7-11(10)24-14/h4-7H,2-3,8-9H2,1H3,(H2,18,19,20,22)