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

Systemtic Name: ethyl 2-[3-(2-hydroxyethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-(2-hydroxyethylamino)-1,4-dioxo-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[3-(2-hydroxyethylamino)-1,4-dioxo-2-naphthalenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-hydroxyethylamino)-1,4-dioxonaphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2-hydroxyethylamino)-1,4-diketo-2-naphthyl]thio]acetic acid ethyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)NCCO

Isomeric SMILES

CCOC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)NCCO

InChI

InChI=1S/C16H17NO5S/c1-2-22-12(19)9-23-16-13(17-7-8-18)14(20)10-5-3-4-6-11(10)15(16)21/h3-6,17-18H,2,7-9H2,1H3