[[4-(2-cyanophenyl)phenyl]methylamino] N-(3-butanoyl-4-cyano-5-methyl-thiophen-2-yl)-N-tert-butyl-carbamate

Systemtic Name: [[4-(2-cyanophenyl)phenyl]methylamino] N-(3-butanoyl-4-cyano-5-methyl-thiophen-2-yl)-N-tert-butyl-carbamate Openeye Name: [[4-(2-cyanophenyl)phenyl]methylamino] N-(3-butanoyl-4-cyano-5-methyl-2-thienyl)-N-tert-butyl-carbamate CAS Name: N-tert-butyl-N-[4-cyano-5-methyl-3-(1-oxobutyl)-2-thiophenyl]carbamic acid [[4-(2-cyanophenyl)phenyl]methylamino] ester IUPAC Name: [[4-(2-cyanophenyl)phenyl]methylamino] N-(3-butanoyl-4-cyano-5-methylthiophen-2-yl)-N-tert-butylcarbamate Traditional Name: N-tert-butyl-N-(3-butyryl-4-cyano-5-methyl-2-thienyl)carbamic acid [[4-(2-cyanophenyl)benzyl]amino] ester Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(SC(=C1C#N)C)N(C(=O)ONCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(C)(C)C

Isomeric SMILES

CCCC(=O)C1=C(SC(=C1C#N)C)N(C(=O)ONCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(C)(C)C

InChI

InChI=1S/C29H30N4O3S/c1-6-9-25(34)26-24(17-31)19(2)37-27(26)33(29(3,4)5)28(35)36-32-18-20-12-14-21(15-13-20)23-11-8-7-10-22(23)16-30/h7-8,10-15,32H,6,9,18H2,1-5H3