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

Systemtic Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]benzoic acid Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

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)