[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO3S/c22-17-6-9-19(10-7-17)27-12-11-21(25)26-14-20(24)23-18-8-5-15-3-1-2-4-16(15)13-18/h1-10,13H,11-12,14H2,(H,23,24)