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

Systemtic Name: ethyl 2-[3-(2-methylpropylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-(isobutylamino)-1,4-dioxo-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[3-(2-methylpropylamino)-1,4-dioxo-2-naphthalenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-methylpropylamino)-1,4-dioxonaphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[3-(isobutylamino)-1,4-diketo-2-naphthyl]thio]acetic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-4-23-14(20)10-24-18-15(19-9-11(2)3)16(21)12-7-5-6-8-13(12)17(18)22/h5-8,11,19H,4,9-10H2,1-3H3