[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)CCCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)CCCCC2

InChI

InChI=1S/C17H25NO3S/c1-12(2)8-9-18-16(19)11-21-17(20)15-10-13-6-4-3-5-7-14(13)22-15/h10,12H,3-9,11H2,1-2H3,(H,18,19)