tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-thiophen-2-yl-methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-thiophen-2-yl-methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(2-thienyl)methylene]piperidine-1-carboxylate CAS Name: 4-[[4-[diethylamino(oxo)methyl]phenyl]-thiophen-2-ylmethylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-thiophen-2-ylmethylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]-(2-thienyl)methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CS3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C26H34N2O3S/c1-6-27(7-2)24(29)21-12-10-19(11-13-21)23(22-9-8-18-32-22)20-14-16-28(17-15-20)25(30)31-26(3,4)5/h8-13,18H,6-7,14-17H2,1-5H3