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

Systemtic Name: ethyl 3-[3-azanyl-5-[(4-bromophenyl)methylsulfanyl]-4-cyano-thiophen-2-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[3-amino-5-[(4-bromophenyl)methylsulfanyl]-4-cyano-2-thienyl]-3-oxo-propanoate CAS Name: 3-[3-amino-5-[(4-bromophenyl)methylthio]-4-cyano-2-thiophenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-amino-5-[(4-bromophenyl)methylsulfanyl]-4-cyanothiophen-2-yl]-3-oxopropanoate Traditional Name: 3-[3-amino-5-[(4-bromobenzyl)thio]-4-cyano-2-thienyl]-3-keto-propionic acid ethyl ester Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3S2/c1-2-23-14(22)7-13(21)16-15(20)12(8-19)17(25-16)24-9-10-3-5-11(18)6-4-10/h3-6H,2,7,9,20H2,1H3