[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H25NO3S/c1-12(17(20)19-14-8-3-2-4-9-14)22-18(21)16-11-13-7-5-6-10-15(13)23-16/h11-12,14H,2-10H2,1H3,(H,19,20)