ethyl 2-[6-azanyl-5-cyano-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-phenyl-pyridin-2-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[6-azanyl-5-cyano-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-phenyl-pyridin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[6-amino-5-cyano-3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-phenyl-2-pyridyl]-2-cyano-acetate CAS Name: 2-[6-amino-5-cyano-3-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-4-phenyl-2-pyridinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-5-cyano-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-phenylpyridin-2-yl]-2-cyanoacetate Traditional Name: 2-[6-amino-5-cyano-3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-phenyl-2-pyridyl]-2-cyano-acetic acid ethyl ester Formula: C27H22N6O3S MolecularWeight: 510.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C27H22N6O3S/c1-2-36-27(35)19(14-30)23-22(21(15-8-4-3-5-9-15)18(13-29)24(31)32-23)25(34)33-26-17(12-28)16-10-6-7-11-20(16)37-26/h3-5,8-9,19H,2,6-7,10-11H2,1H3,(H2,31,32)(H,33,34)