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

Systemtic Name: ethyl 2-[3-(2-methylpropylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[[3-(isobutylamino)-1,4-dioxo-2-naphthyl]sulfanyl]propanoate CAS Name: 2-[[3-(2-methylpropylamino)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-methylpropylamino)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-(isobutylamino)-1,4-diketo-2-naphthyl]thio]propionic acid ethyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NCC(C)C

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NCC(C)C

InChI

InChI=1S/C19H23NO4S/c1-5-24-19(23)12(4)25-18-15(20-10-11(2)3)16(21)13-8-6-7-9-14(13)17(18)22/h6-9,11-12,20H,5,10H2,1-4H3