[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H25NO3S/c23-20(22-18-9-3-1-2-4-10-18)14-25-21(24)15-26-19-12-11-16-7-5-6-8-17(16)13-19/h5-8,11-13,18H,1-4,9-10,14-15H2,(H,22,23)