2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]benzoate Formula: C17H20NO3S- MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C17H21NO3S/c19-16(18-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)17(20)21/h4-6,8-9H,1-3,7,10-12H2,(H,18,19)(H,20,21)/p-1