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

Systemtic Name: methyl 3-[3,6-bis(oxidanylidene)-4-(phenethylamino)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-[3,6-dioxo-4-(phenethylamino)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate CAS Name: 3-[[3,6-dioxo-4-(phenethylamino)-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3,6-dioxo-4-(phenethylamino)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Traditional Name: 3-[[3,6-diketo-4-(phenethylamino)cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=O)C(=CC1=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=CC(=O)C(=CC1=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-23-18(22)8-10-24-17-12-15(20)14(11-16(17)21)19-9-7-13-5-3-2-4-6-13/h2-6,11-12,19H,7-10H2,1H3