ethyl 3-[3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophen-2-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophen-2-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(3-amino-5-benzylsulfanyl-4-cyano-2-thienyl)-3-oxo-propanoate CAS Name: 3-[3-amino-4-cyano-5-(phenylmethylthio)-2-thiophenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-amino-5-benzylsulfanyl-4-cyanothiophen-2-yl)-3-oxopropanoate Traditional Name: 3-[3-amino-5-(benzylthio)-4-cyano-2-thienyl]-3-keto-propionic acid ethyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(C(=C(S1)SCC2=CC=CC=C2)C#N)N

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(C(=C(S1)SCC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C17H16N2O3S2/c1-2-22-14(21)8-13(20)16-15(19)12(9-18)17(24-16)23-10-11-6-4-3-5-7-11/h3-7H,2,8,10,19H2,1H3