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

Systemtic Name: ethyl 4-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,2-dioxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H22N4O4S/c1-2-26-18(25)22-9-7-21(8-10-22)17(24)15(23)20-16-13(11-19)12-5-3-4-6-14(12)27-16/h2-10H2,1H3,(H,20,23)