methyl 3-[4-(naphthalen-2-ylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(naphthalen-2-ylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-(2-naphthylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate CAS Name: 3-[[4-(2-naphthalenylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(naphthalen-2-ylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]sulfanylpropanoate Traditional Name: 3-[[3,6-diketo-4-(2-naphthylamino)cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=O)C(=CC1=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCSC1=CC(=O)C(=CC1=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H17NO4S/c1-25-20(24)8-9-26-19-12-17(22)16(11-18(19)23)21-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-12,21H,8-9H2,1H3