[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO3S/c23-18-8-11-20(12-9-18)28-13-3-6-22(26)27-15-21(25)24-19-10-7-16-4-1-2-5-17(16)14-19/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,24,25)