ethyl 2-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]thio]acetic acid ethyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

CCOC(=O)CSCCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C16H20N2O3S2/c1-2-21-15(20)10-22-8-7-14(19)18-16-12(9-17)11-5-3-4-6-13(11)23-16/h2-8,10H2,1H3,(H,18,19)