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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO3S/c1-3-9(2)17-12(18)8-20-15(19)14-13(16)10-6-4-5-7-11(10)21-14/h4-7,9H,3,8H2,1-2H3,(H,17,18)