ethyl 4-[[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate

Systemtic Name: ethyl 4-[[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: ethyl 4-[[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 4-[[2-(cyclohexylamino)-1-(3-methyl-2-thiophenyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 4-[[2-(cyclohexylamino)-2-keto-1-(3-methyl-2-thienyl)ethyl]-pyrazinoyl-amino]benzoic acid ethyl ester Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C(C2=C(C=CS2)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C(C2=C(C=CS2)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C27H30N4O4S/c1-3-35-27(34)19-9-11-21(12-10-19)31(26(33)22-17-28-14-15-29-22)23(24-18(2)13-16-36-24)25(32)30-20-7-5-4-6-8-20/h9-17,20,23H,3-8H2,1-2H3,(H,30,32)