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

Systemtic Name: methyl 3-[3,6-bis(oxidanylidene)-4-phenylazanyl-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-(4-anilino-3,6-dioxo-cyclohexa-1,4-dien-1-yl)sulfanylpropanoate CAS Name: 3-[(4-anilino-3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-anilino-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoate Traditional Name: 3-[(4-anilino-3,6-diketo-cyclohexa-1,4-dien-1-yl)thio]propionic acid methyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-21-16(20)7-8-22-15-10-13(18)12(9-14(15)19)17-11-5-3-2-4-6-11/h2-6,9-10,17H,7-8H2,1H3