2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-25-16-10-6-14(7-11-16)12-21(15-8-9-15)19(22)13-26-18-5-3-2-4-17(18)20(23)24/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,23,24)