ethyl 2-[2-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(OC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(OC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H15N3O4S2/c1-2-24-16(23)7-11-9-26-18(20-11)27-10-15(22)21-17-12-5-3-4-6-13(12)25-14(17)8-19/h3-6,9H,2,7,10H2,1H3,(H,21,22)