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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C16H18ClNO3S/c1-10(2)7-8-18-13(19)9-21-16(20)15-14(17)11-5-3-4-6-12(11)22-15/h3-6,10H,7-9H2,1-2H3,(H,18,19)