[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrNO3S/c19-15-6-8-16(9-7-15)24-13-18(22)23-12-17(21)20-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,20,21)