[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H20ClNO5S MolecularWeight: 457.9266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C23H20ClNO5S/c1-14(23(27)25-11-15-8-9-18-19(10-15)29-13-28-18)30-21(26)12-31-20-7-3-5-16-4-2-6-17(24)22(16)20/h2-10,14H,11-13H2,1H3,(H,25,27)/t14-/m0/s1