2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]benzoate Formula: C16H20NO3S- MolecularWeight: 306.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H21NO3S/c18-15(17-12-7-3-1-2-4-8-12)11-21-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)(H,19,20)/p-1