ethyl 2-[1,4-bis(oxidanylidene)-3-[(phenylmethyl)amino]naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[1,4-bis(oxidanylidene)-3-[(phenylmethyl)amino]naphthalen-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[[3-(benzylamino)-1,4-dioxo-2-naphthyl]sulfanyl]propanoate CAS Name: 2-[[1,4-dioxo-3-[(phenylmethyl)amino]-2-naphthalenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-(benzylamino)-1,4-diketo-2-naphthyl]thio]propionic acid ethyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-3-27-22(26)14(2)28-21-18(23-13-15-9-5-4-6-10-15)19(24)16-11-7-8-12-17(16)20(21)25/h4-12,14,23H,3,13H2,1-2H3