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

Systemtic Name: ethyl 2-[1,4-bis(oxidanylidene)-3-[(phenylmethyl)amino]naphthalen-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-(benzylamino)-1,4-dioxo-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[1,4-dioxo-3-[(phenylmethyl)amino]-2-naphthalenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[3-(benzylamino)-1,4-diketo-2-naphthyl]thio]acetic acid ethyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-2-26-17(23)13-27-21-18(22-12-14-8-4-3-5-9-14)19(24)15-10-6-7-11-16(15)20(21)25/h3-11,22H,2,12-13H2,1H3