[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(C)C2CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N[C@@H](C)C2CC2

InChI

InChI=1S/C16H20BrNO3S/c1-10-7-13(17)5-6-14(10)22-9-16(20)21-8-15(19)18-11(2)12-3-4-12/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,18,19)/t11-/m0/s1