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

Systemtic Name: ethyl 2-[1,4-bis(oxidanylidene)-3-phenylazanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[(3-anilino-1,4-dioxo-2-naphthyl)sulfanyl]propanoate CAS Name: 2-[(3-anilino-1,4-dioxo-2-naphthalenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-anilino-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-anilino-1,4-diketo-2-naphthyl)thio]propionic acid ethyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-3-26-21(25)13(2)27-20-17(22-14-9-5-4-6-10-14)18(23)15-11-7-8-12-16(15)19(20)24/h4-13,22H,3H2,1-2H3