phenacyl 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate

Systemtic Name: phenacyl 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate Openeye Name: phenacyl 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propanoate CAS Name: 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate Traditional Name: 3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propionic acid phenacyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NCCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NCCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3S/c1-24(2,3)17-9-10-18-19(14-25)23(30-21(18)13-17)26-12-11-22(28)29-15-20(27)16-7-5-4-6-8-16/h4-8,17,26H,9-13,15H2,1-3H3